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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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/Test-29a205ef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Test-29a205ef/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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -295.903949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.903949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.903949 (E_RNA)
where:
Base-Base interactions energy: -162.671
where: short stacking energy: -105.405
Base-Backbone interact. energy: 2.581
local terms energy: -135.812988
where:
bonds (distance) C4'-P energy: -29.299
bonds (distance) P-C4' energy: -36.916
flat angles C4'-P-C4' energy: -35.164
flat angles P-C4'-P energy: -15.503
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: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -328.659684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.659684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.659684 (E_RNA)
where:
Base-Base interactions energy: -179.613
where: short stacking energy: -123.451
Base-Backbone interact. energy: -0.421
local terms energy: -148.626340
where:
bonds (distance) C4'-P energy: -32.236
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -27.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -338.518518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.518518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.518518 (E_RNA)
where:
Base-Base interactions energy: -178.328
where: short stacking energy: -136.802
Base-Backbone interact. energy: -0.293
local terms energy: -159.897803
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -23.218
tors. eta vs tors. theta energy: -31.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -323.471798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.471798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.471798 (E_RNA)
where:
Base-Base interactions energy: -180.548
where: short stacking energy: -111.984
Base-Backbone interact. energy: -1.115
local terms energy: -141.808793
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -36.363
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -24.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -315.731404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.731404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.731404 (E_RNA)
where:
Base-Base interactions energy: -193.655
where: short stacking energy: -101.426
Base-Backbone interact. energy: 0.747
local terms energy: -122.823272
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -33.037
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -204.954310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.954310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.954310 (E_RNA)
where:
Base-Base interactions energy: -94.658
where: short stacking energy: -59.742
Base-Backbone interact. energy: 0.856
local terms energy: -111.152324
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -35.290
flat angles C4'-P-C4' energy: -33.091
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -237.645697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.645697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.645697 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -70.587
Base-Backbone interact. energy: 0.002
local terms energy: -103.470619
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -32.437
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -7.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -373.459550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.459550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.459550 (E_RNA)
where:
Base-Base interactions energy: -216.910
where: short stacking energy: -150.707
Base-Backbone interact. energy: -0.442
local terms energy: -156.107243
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -32.619
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -21.508
tors. eta vs tors. theta energy: -35.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -358.622788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.622788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.622788 (E_RNA)
where:
Base-Base interactions energy: -184.627
where: short stacking energy: -132.030
Base-Backbone interact. energy: -0.516
local terms energy: -173.480335
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -38.212
flat angles C4'-P-C4' energy: -38.054
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -37.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -311.883716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.883716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.883716 (E_RNA)
where:
Base-Base interactions energy: -185.232
where: short stacking energy: -106.632
Base-Backbone interact. energy: -0.726
local terms energy: -125.926073
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -36.227
flat angles C4'-P-C4' energy: -30.487
flat angles P-C4'-P energy: -21.699
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -310.812954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.812954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.812954 (E_RNA)
where:
Base-Base interactions energy: -188.867
where: short stacking energy: -94.063
Base-Backbone interact. energy: 1.073
local terms energy: -123.019646
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -35.345
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -217.037091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.037091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.037091 (E_RNA)
where:
Base-Base interactions energy: -111.942
where: short stacking energy: -72.131
Base-Backbone interact. energy: 0.234
local terms energy: -105.328598
where:
bonds (distance) C4'-P energy: -28.344
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -198.592770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.592770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.592770 (E_RNA)
where:
Base-Base interactions energy: -104.309
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.608
local terms energy: -93.675304
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -408.304263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.304263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.304263 (E_RNA)
where:
Base-Base interactions energy: -236.153
where: short stacking energy: -163.686
Base-Backbone interact. energy: -1.373
local terms energy: -170.777690
where:
bonds (distance) C4'-P energy: -32.429
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -44.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 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: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -323.548199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.548199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.548199 (E_RNA)
where:
Base-Base interactions energy: -171.042
where: short stacking energy: -124.224
Base-Backbone interact. energy: -0.315
local terms energy: -152.191624
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -30.438
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -19.297
tors. eta vs tors. theta energy: -33.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 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: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -325.403607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.403607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.403607 (E_RNA)
where:
Base-Base interactions energy: -179.922
where: short stacking energy: -111.951
Base-Backbone interact. energy: -1.047
local terms energy: -144.433988
where:
bonds (distance) C4'-P energy: -28.880
bonds (distance) P-C4' energy: -39.083
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -288.304597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.304597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.304597 (E_RNA)
where:
Base-Base interactions energy: -172.773
where: short stacking energy: -96.795
Base-Backbone interact. energy: -0.298
local terms energy: -115.233549
where:
bonds (distance) C4'-P energy: -30.176
bonds (distance) P-C4' energy: -27.200
flat angles C4'-P-C4' energy: -27.481
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -15.728
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: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -300.087407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.087407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.087407 (E_RNA)
where:
Base-Base interactions energy: -173.039
where: short stacking energy: -97.237
Base-Backbone interact. energy: -0.874
local terms energy: -126.174455
where:
bonds (distance) C4'-P energy: -30.184
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -33.340
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -193.400466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.400466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.400466 (E_RNA)
where:
Base-Base interactions energy: -109.125
where: short stacking energy: -41.705
Base-Backbone interact. energy: -0.252
local terms energy: -84.023523
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: 1.024
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: 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: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -409.308042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.308042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.308042 (E_RNA)
where:
Base-Base interactions energy: -250.678
where: short stacking energy: -115.396
Base-Backbone interact. energy: -1.051
local terms energy: -157.579240
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -39.941
flat angles P-C4'-P energy: -25.673
tors. eta vs tors. theta energy: -28.700
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: 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: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -332.749915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.749915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.749915 (E_RNA)
where:
Base-Base interactions energy: -176.322
where: short stacking energy: -122.456
Base-Backbone interact. energy: 0.207
local terms energy: -156.634676
where:
bonds (distance) C4'-P energy: -29.192
bonds (distance) P-C4' energy: -39.164
flat angles C4'-P-C4' energy: -35.109
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -33.934
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: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -315.764448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.764448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.764448 (E_RNA)
where:
Base-Base interactions energy: -169.549
where: short stacking energy: -111.601
Base-Backbone interact. energy: -0.805
local terms energy: -145.409828
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -39.825
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -25.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -361.551426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.551426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.551426 (E_RNA)
where:
Base-Base interactions energy: -216.702
where: short stacking energy: -127.797
Base-Backbone interact. energy: -1.619
local terms energy: -143.230155
where:
bonds (distance) C4'-P energy: -31.221
bonds (distance) P-C4' energy: -38.434
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -18.866
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -250.600160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.600160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.600160 (E_RNA)
where:
Base-Base interactions energy: -140.962
where: short stacking energy: -89.731
Base-Backbone interact. energy: -0.648
local terms energy: -108.990063
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -28.156
flat angles C4'-P-C4' energy: -29.470
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -12.595
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: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -250.091333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.091333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.091333 (E_RNA)
where:
Base-Base interactions energy: -133.487
where: short stacking energy: -80.752
Base-Backbone interact. energy: -0.218
local terms energy: -116.386900
where:
bonds (distance) C4'-P energy: -31.859
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -26.886
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -175.216080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.216080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.216080 (E_RNA)
where:
Base-Base interactions energy: -78.745
where: short stacking energy: -53.353
Base-Backbone interact. energy: -0.647
local terms energy: -95.824372
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -36.661
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: 3.562
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: 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: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -390.137335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.137335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.137335 (E_RNA)
where:
Base-Base interactions energy: -243.168
where: short stacking energy: -110.579
Base-Backbone interact. energy: 1.641
local terms energy: -148.610400
where:
bonds (distance) C4'-P energy: -37.367
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -393.896697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.896697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.896697 (E_RNA)
where:
Base-Base interactions energy: -238.044
where: short stacking energy: -119.863
Base-Backbone interact. energy: -0.801
local terms energy: -155.051346
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -35.052
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -30.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -347.747346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.747346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.747346 (E_RNA)
where:
Base-Base interactions energy: -201.331
where: short stacking energy: -103.606
Base-Backbone interact. energy: -0.336
local terms energy: -146.080652
where:
bonds (distance) C4'-P energy: -36.684
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -26.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -343.744493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.744493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.744493 (E_RNA)
where:
Base-Base interactions energy: -187.992
where: short stacking energy: -109.706
Base-Backbone interact. energy: -0.667
local terms energy: -155.086095
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -32.954
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -25.715
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: 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: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -318.753474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.753474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.753474 (E_RNA)
where:
Base-Base interactions energy: -188.412
where: short stacking energy: -91.262
Base-Backbone interact. energy: -0.607
local terms energy: -129.734813
where:
bonds (distance) C4'-P energy: -34.562
bonds (distance) P-C4' energy: -35.264
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -265.164763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.164763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.164763 (E_RNA)
where:
Base-Base interactions energy: -146.748
where: short stacking energy: -79.761
Base-Backbone interact. energy: -1.505
local terms energy: -116.911385
where:
bonds (distance) C4'-P energy: -28.934
bonds (distance) P-C4' energy: -35.265
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -22.913
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -247.016121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.016121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.016121 (E_RNA)
where:
Base-Base interactions energy: -129.781
where: short stacking energy: -56.961
Base-Backbone interact. energy: -1.472
local terms energy: -115.763634
where:
bonds (distance) C4'-P energy: -29.907
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -7.301
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: 10, replica: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -160.293399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.293399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.293399 (E_RNA)
where:
Base-Base interactions energy: -54.461
where: short stacking energy: -51.119
Base-Backbone interact. energy: -0.540
local terms energy: -105.292097
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -27.086
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -10.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -421.841402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.841402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.841402 (E_RNA)
where:
Base-Base interactions energy: -275.716
where: short stacking energy: -110.751
Base-Backbone interact. energy: -0.847
local terms energy: -145.278529
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -25.285
flat angles C4'-P-C4' energy: -37.453
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -26.650
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: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -423.706183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.706183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.706183 (E_RNA)
where:
Base-Base interactions energy: -247.776
where: short stacking energy: -141.777
Base-Backbone interact. energy: -0.870
local terms energy: -175.060098
where:
bonds (distance) C4'-P energy: -36.242
bonds (distance) P-C4' energy: -39.715
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: -39.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -327.940190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.940190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.940190 (E_RNA)
where:
Base-Base interactions energy: -185.554
where: short stacking energy: -109.717
Base-Backbone interact. energy: -0.230
local terms energy: -142.156390
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -264.607740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.607740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.607740 (E_RNA)
where:
Base-Base interactions energy: -141.853
where: short stacking energy: -86.475
Base-Backbone interact. energy: -0.389
local terms energy: -122.365924
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -17.174
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: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -289.449558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.449558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.449558 (E_RNA)
where:
Base-Base interactions energy: -162.214
where: short stacking energy: -92.138
Base-Backbone interact. energy: -0.192
local terms energy: -127.043606
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -31.945
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -22.930
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: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -254.024547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.024547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.024547 (E_RNA)
where:
Base-Base interactions energy: -136.656
where: short stacking energy: -82.081
Base-Backbone interact. energy: 0.370
local terms energy: -117.738589
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -30.360
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -18.540
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: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -219.112392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.112392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.112392 (E_RNA)
where:
Base-Base interactions energy: -122.801
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.554
local terms energy: -95.758129
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -26.822
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -202.411740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.411740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.411740 (E_RNA)
where:
Base-Base interactions energy: -89.680
where: short stacking energy: -52.180
Base-Backbone interact. energy: -1.621
local terms energy: -111.110718
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -23.508
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -426.368747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.368747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.368747 (E_RNA)
where:
Base-Base interactions energy: -264.085
where: short stacking energy: -139.292
Base-Backbone interact. energy: -1.218
local terms energy: -161.065124
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -35.454
flat angles C4'-P-C4' energy: -39.061
flat angles P-C4'-P energy: -20.298
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -411.179134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.179134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.179134 (E_RNA)
where:
Base-Base interactions energy: -254.694
where: short stacking energy: -119.664
Base-Backbone interact. energy: -0.825
local terms energy: -155.660660
where:
bonds (distance) C4'-P energy: -28.227
bonds (distance) P-C4' energy: -36.365
flat angles C4'-P-C4' energy: -42.808
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -23.816
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: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -374.962084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.962084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.962084 (E_RNA)
where:
Base-Base interactions energy: -209.414
where: short stacking energy: -127.775
Base-Backbone interact. energy: -0.773
local terms energy: -164.774146
where:
bonds (distance) C4'-P energy: -38.284
bonds (distance) P-C4' energy: -35.552
flat angles C4'-P-C4' energy: -33.412
flat angles P-C4'-P energy: -25.938
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -279.421491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.421491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.421491 (E_RNA)
where:
Base-Base interactions energy: -154.800
where: short stacking energy: -89.396
Base-Backbone interact. energy: 0.093
local terms energy: -124.713934
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -30.173
flat angles P-C4'-P energy: -21.081
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: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -336.851959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.851959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.851959 (E_RNA)
where:
Base-Base interactions energy: -210.461
where: short stacking energy: -110.880
Base-Backbone interact. energy: 0.224
local terms energy: -126.614554
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -31.170
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -237.246465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.246465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.246465 (E_RNA)
where:
Base-Base interactions energy: -123.298
where: short stacking energy: -91.507
Base-Backbone interact. energy: -0.387
local terms energy: -113.561241
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -331.825667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.825667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.825667 (E_RNA)
where:
Base-Base interactions energy: -199.797
where: short stacking energy: -100.760
Base-Backbone interact. energy: -0.258
local terms energy: -131.771454
where:
bonds (distance) C4'-P energy: -29.601
bonds (distance) P-C4' energy: -31.716
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -25.133
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: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -215.075366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.075366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.075366 (E_RNA)
where:
Base-Base interactions energy: -109.181
where: short stacking energy: -60.777
Base-Backbone interact. energy: -1.626
local terms energy: -104.268505
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -240.815846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.815846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.815846 (E_RNA)
where:
Base-Base interactions energy: -137.104
where: short stacking energy: -73.551
Base-Backbone interact. energy: 0.613
local terms energy: -104.324915
where:
bonds (distance) C4'-P energy: -28.710
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -423.608415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.608415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.608415 (E_RNA)
where:
Base-Base interactions energy: -253.390
where: short stacking energy: -130.292
Base-Backbone interact. energy: -0.125
local terms energy: -170.093020
where:
bonds (distance) C4'-P energy: -31.663
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -40.086
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -32.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -409.002830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.002830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.002830 (E_RNA)
where:
Base-Base interactions energy: -254.647
where: short stacking energy: -133.334
Base-Backbone interact. energy: -0.378
local terms energy: -153.977548
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -36.609
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -366.166523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.166523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.166523 (E_RNA)
where:
Base-Base interactions energy: -208.514
where: short stacking energy: -129.869
Base-Backbone interact. energy: -0.254
local terms energy: -157.398762
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -32.704
flat angles C4'-P-C4' energy: -34.158
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: -31.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -332.554722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.554722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.554722 (E_RNA)
where:
Base-Base interactions energy: -205.835
where: short stacking energy: -119.440
Base-Backbone interact. energy: -0.287
local terms energy: -126.432389
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -13.093
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: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -314.920795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.920795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.920795 (E_RNA)
where:
Base-Base interactions energy: -181.509
where: short stacking energy: -110.249
Base-Backbone interact. energy: -1.231
local terms energy: -132.180974
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -34.295
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -20.763
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -315.702301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.702301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.702301 (E_RNA)
where:
Base-Base interactions energy: -189.317
where: short stacking energy: -77.505
Base-Backbone interact. energy: -1.016
local terms energy: -125.368918
where:
bonds (distance) C4'-P energy: -27.283
bonds (distance) P-C4' energy: -32.108
flat angles C4'-P-C4' energy: -26.428
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -14.147
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: 12
Temperature: 1.250000
Total energy: -337.554340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.554340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.554340 (E_RNA)
where:
Base-Base interactions energy: -207.487
where: short stacking energy: -87.672
Base-Backbone interact. energy: -0.182
local terms energy: -129.885063
where:
bonds (distance) C4'-P energy: -26.686
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -32.276
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -17.751
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: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -248.311643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.311643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.311643 (E_RNA)
where:
Base-Base interactions energy: -132.037
where: short stacking energy: -74.747
Base-Backbone interact. energy: 0.342
local terms energy: -116.615917
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -38.171
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -7.054
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: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -207.982438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.982438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.982438 (E_RNA)
where:
Base-Base interactions energy: -104.981
where: short stacking energy: -71.152
Base-Backbone interact. energy: 1.493
local terms energy: -104.494431
where:
bonds (distance) C4'-P energy: -26.337
bonds (distance) P-C4' energy: -29.099
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -448.976044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.976044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.976044 (E_RNA)
where:
Base-Base interactions energy: -287.444
where: short stacking energy: -158.714
Base-Backbone interact. energy: -0.853
local terms energy: -160.679834
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -32.093
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -35.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -422.503890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.503890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.503890 (E_RNA)
where:
Base-Base interactions energy: -263.674
where: short stacking energy: -132.508
Base-Backbone interact. energy: -0.244
local terms energy: -158.585954
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -32.436
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -31.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -345.793970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.793970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.793970 (E_RNA)
where:
Base-Base interactions energy: -210.075
where: short stacking energy: -112.576
Base-Backbone interact. energy: -0.468
local terms energy: -135.250574
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -28.933
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -18.755
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: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -354.916334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.916334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.916334 (E_RNA)
where:
Base-Base interactions energy: -203.276
where: short stacking energy: -126.448
Base-Backbone interact. energy: -0.061
local terms energy: -151.578906
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -33.282
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -30.415
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -374.034180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.034180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.034180 (E_RNA)
where:
Base-Base interactions energy: -248.919
where: short stacking energy: -114.176
Base-Backbone interact. energy: 0.021
local terms energy: -125.137067
where:
bonds (distance) C4'-P energy: -32.274
bonds (distance) P-C4' energy: -31.648
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -17.354
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: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -269.232195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.232195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.232195 (E_RNA)
where:
Base-Base interactions energy: -147.465
where: short stacking energy: -87.784
Base-Backbone interact. energy: -0.274
local terms energy: -121.493499
where:
bonds (distance) C4'-P energy: -30.539
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -340.740886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.740886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.740886 (E_RNA)
where:
Base-Base interactions energy: -217.160
where: short stacking energy: -105.419
Base-Backbone interact. energy: 0.498
local terms energy: -124.079659
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -22.386
flat angles C4'-P-C4' energy: -32.478
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -19.204
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: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -239.160652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.160652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.160652 (E_RNA)
where:
Base-Base interactions energy: -130.543
where: short stacking energy: -88.771
Base-Backbone interact. energy: 2.263
local terms energy: -110.880204
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -28.489
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -5.515
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: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -155.679106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.679106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.679106 (E_RNA)
where:
Base-Base interactions energy: -55.116
where: short stacking energy: -49.412
Base-Backbone interact. energy: -0.571
local terms energy: -99.992018
where:
bonds (distance) C4'-P energy: -32.783
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 7
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -459.360528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.360528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.360528 (E_RNA)
where:
Base-Base interactions energy: -285.654
where: short stacking energy: -160.103
Base-Backbone interact. energy: -0.822
local terms energy: -172.884904
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -35.236
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -40.456
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: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -419.764919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.764919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.764919 (E_RNA)
where:
Base-Base interactions energy: -270.016
where: short stacking energy: -127.219
Base-Backbone interact. energy: -0.193
local terms energy: -149.556045
where:
bonds (distance) C4'-P energy: -35.847
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -19.530
tors. eta vs tors. theta energy: -29.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -380.903375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.903375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.903375 (E_RNA)
where:
Base-Base interactions energy: -229.694
where: short stacking energy: -110.893
Base-Backbone interact. energy: -1.550
local terms energy: -149.659157
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -37.217
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -18.841
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: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -396.640165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.640165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.640165 (E_RNA)
where:
Base-Base interactions energy: -249.359
where: short stacking energy: -133.768
Base-Backbone interact. energy: 0.165
local terms energy: -147.445485
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -33.884
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -36.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -354.565181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.565181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.565181 (E_RNA)
where:
Base-Base interactions energy: -204.348
where: short stacking energy: -116.824
Base-Backbone interact. energy: -0.025
local terms energy: -150.191489
where:
bonds (distance) C4'-P energy: -29.616
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -29.773
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: 14
Temperature: 1.200000
Total energy: -348.506073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.506073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.506073 (E_RNA)
where:
Base-Base interactions energy: -214.278
where: short stacking energy: -103.444
Base-Backbone interact. energy: -0.171
local terms energy: -134.056999
where:
bonds (distance) C4'-P energy: -21.343
bonds (distance) P-C4' energy: -36.569
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -25.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -243.617238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.617238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.617238 (E_RNA)
where:
Base-Base interactions energy: -118.437
where: short stacking energy: -72.150
Base-Backbone interact. energy: -0.116
local terms energy: -125.063897
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -37.356
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -236.879998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.879998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.879998 (E_RNA)
where:
Base-Base interactions energy: -123.860
where: short stacking energy: -69.204
Base-Backbone interact. energy: 0.165
local terms energy: -113.185402
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -9.161
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: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -187.078967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.078967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.078967 (E_RNA)
where:
Base-Base interactions energy: -93.817
where: short stacking energy: -67.155
Base-Backbone interact. energy: -1.014
local terms energy: -92.247507
where:
bonds (distance) C4'-P energy: -31.527
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -3.617
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: 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: -449.329486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.329486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.329486 (E_RNA)
where:
Base-Base interactions energy: -284.844
where: short stacking energy: -149.005
Base-Backbone interact. energy: -1.435
local terms energy: -163.051001
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -37.384
flat angles C4'-P-C4' energy: -30.271
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -43.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -417.634929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.634929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.634929 (E_RNA)
where:
Base-Base interactions energy: -255.507
where: short stacking energy: -141.732
Base-Backbone interact. energy: 0.761
local terms energy: -162.889430
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -38.117
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -40.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -410.152515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.152515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.152515 (E_RNA)
where:
Base-Base interactions energy: -237.306
where: short stacking energy: -143.452
Base-Backbone interact. energy: -0.031
local terms energy: -172.815789
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -33.717
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: -43.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -381.975129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.975129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.975129 (E_RNA)
where:
Base-Base interactions energy: -236.743
where: short stacking energy: -124.182
Base-Backbone interact. energy: -1.304
local terms energy: -143.928355
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -40.915
flat angles P-C4'-P energy: -22.837
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: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -407.075983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.075983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.075983 (E_RNA)
where:
Base-Base interactions energy: -254.964
where: short stacking energy: -128.097
Base-Backbone interact. energy: 1.457
local terms energy: -153.569430
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -38.415
flat angles C4'-P-C4' energy: -38.333
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -25.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -319.755481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.755481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.755481 (E_RNA)
where:
Base-Base interactions energy: -187.935
where: short stacking energy: -109.279
Base-Backbone interact. energy: -0.295
local terms energy: -131.526101
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -25.657
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -28.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -280.095797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.095797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.095797 (E_RNA)
where:
Base-Base interactions energy: -157.023
where: short stacking energy: -86.412
Base-Backbone interact. energy: 1.563
local terms energy: -124.636098
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -30.550
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -11.028
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: 1
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -241.742222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.742222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.742222 (E_RNA)
where:
Base-Base interactions energy: -120.145
where: short stacking energy: -73.460
Base-Backbone interact. energy: -1.193
local terms energy: -120.404742
where:
bonds (distance) C4'-P energy: -29.543
bonds (distance) P-C4' energy: -24.678
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -15.336
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: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -223.124431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.124431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.124431 (E_RNA)
where:
Base-Base interactions energy: -119.063
where: short stacking energy: -63.626
Base-Backbone interact. energy: -0.843
local terms energy: -103.218255
where:
bonds (distance) C4'-P energy: -28.444
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -448.267600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.267600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.267600 (E_RNA)
where:
Base-Base interactions energy: -282.218
where: short stacking energy: -146.924
Base-Backbone interact. energy: -0.655
local terms energy: -165.394650
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -30.920
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -39.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -390.478758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.478758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.478758 (E_RNA)
where:
Base-Base interactions energy: -243.920
where: short stacking energy: -130.090
Base-Backbone interact. energy: -0.657
local terms energy: -145.901548
where:
bonds (distance) C4'-P energy: -27.891
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -31.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -404.062874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.062874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.062874 (E_RNA)
where:
Base-Base interactions energy: -239.672
where: short stacking energy: -135.386
Base-Backbone interact. energy: -0.534
local terms energy: -163.856689
where:
bonds (distance) C4'-P energy: -33.448
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -37.273
flat angles P-C4'-P energy: -28.335
tors. eta vs tors. theta energy: -30.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -387.174639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.174639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.174639 (E_RNA)
where:
Base-Base interactions energy: -242.970
where: short stacking energy: -123.227
Base-Backbone interact. energy: -0.564
local terms energy: -143.640391
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -399.965362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.965362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.965362 (E_RNA)
where:
Base-Base interactions energy: -250.186
where: short stacking energy: -114.121
Base-Backbone interact. energy: 0.269
local terms energy: -150.047640
where:
bonds (distance) C4'-P energy: -39.376
bonds (distance) P-C4' energy: -36.070
flat angles C4'-P-C4' energy: -30.912
flat angles P-C4'-P energy: -24.019
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -331.571029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.571029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.571029 (E_RNA)
where:
Base-Base interactions energy: -191.899
where: short stacking energy: -116.210
Base-Backbone interact. energy: -0.298
local terms energy: -139.374060
where:
bonds (distance) C4'-P energy: -26.646
bonds (distance) P-C4' energy: -29.050
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -31.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -270.432118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.432118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.432118 (E_RNA)
where:
Base-Base interactions energy: -135.384
where: short stacking energy: -81.330
Base-Backbone interact. energy: 0.303
local terms energy: -135.351451
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -37.836
flat angles C4'-P-C4' energy: -34.507
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -10.240
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: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -239.180997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.180997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.180997 (E_RNA)
where:
Base-Base interactions energy: -127.107
where: short stacking energy: -75.797
Base-Backbone interact. energy: 2.851
local terms energy: -114.925008
where:
bonds (distance) C4'-P energy: -25.138
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -251.872699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.872699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.872699 (E_RNA)
where:
Base-Base interactions energy: -153.053
where: short stacking energy: -76.244
Base-Backbone interact. energy: -0.630
local terms energy: -98.190090
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -444.061986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.061986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.061986 (E_RNA)
where:
Base-Base interactions energy: -277.939
where: short stacking energy: -147.768
Base-Backbone interact. energy: -0.222
local terms energy: -165.901133
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -37.108
flat angles C4'-P-C4' energy: -34.148
flat angles P-C4'-P energy: -26.936
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: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -457.061020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.061020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.061020 (E_RNA)
where:
Base-Base interactions energy: -287.656
where: short stacking energy: -147.524
Base-Backbone interact. energy: 0.063
local terms energy: -169.467761
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -33.314
flat angles P-C4'-P energy: -27.679
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: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -397.779997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.779997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.779997 (E_RNA)
where:
Base-Base interactions energy: -247.075
where: short stacking energy: -124.408
Base-Backbone interact. energy: -0.838
local terms energy: -149.867071
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -25.711
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: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -369.736292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.736292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.736292 (E_RNA)
where:
Base-Base interactions energy: -228.645
where: short stacking energy: -122.520
Base-Backbone interact. energy: -0.236
local terms energy: -140.855091
where:
bonds (distance) C4'-P energy: -32.054
bonds (distance) P-C4' energy: -29.133
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -31.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -431.305114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.305114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.305114 (E_RNA)
where:
Base-Base interactions energy: -269.552
where: short stacking energy: -132.895
Base-Backbone interact. energy: -0.434
local terms energy: -161.319327
where:
bonds (distance) C4'-P energy: -37.458
bonds (distance) P-C4' energy: -35.352
flat angles C4'-P-C4' energy: -30.234
flat angles P-C4'-P energy: -24.019
tors. eta vs tors. theta energy: -34.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -318.611293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.611293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.611293 (E_RNA)
where:
Base-Base interactions energy: -186.423
where: short stacking energy: -103.777
Base-Backbone interact. energy: -0.238
local terms energy: -131.949849
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -32.556
flat angles C4'-P-C4' energy: -27.055
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -26.863
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: 17
Temperature: 1.250000
Total energy: -252.088703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.088703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.088703 (E_RNA)
where:
Base-Base interactions energy: -124.561
where: short stacking energy: -76.669
Base-Backbone interact. energy: 0.541
local terms energy: -128.069508
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -36.773
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -241.626828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.626828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.626828 (E_RNA)
where:
Base-Base interactions energy: -135.581
where: short stacking energy: -90.333
Base-Backbone interact. energy: 1.568
local terms energy: -107.614077
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -24.563
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -10.773
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: 10, replica: 1
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -283.919095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.919095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.919095 (E_RNA)
where:
Base-Base interactions energy: -161.707
where: short stacking energy: -81.989
Base-Backbone interact. energy: -1.370
local terms energy: -120.842230
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -28.502
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -446.573392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.573392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.573392 (E_RNA)
where:
Base-Base interactions energy: -285.941
where: short stacking energy: -146.183
Base-Backbone interact. energy: -0.282
local terms energy: -160.350571
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: -38.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -451.611785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.611785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.611785 (E_RNA)
where:
Base-Base interactions energy: -290.471
where: short stacking energy: -138.197
Base-Backbone interact. energy: -1.288
local terms energy: -159.853386
where:
bonds (distance) C4'-P energy: -36.067
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -26.205
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -36.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -404.789274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.789274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.789274 (E_RNA)
where:
Base-Base interactions energy: -268.655
where: short stacking energy: -119.038
Base-Backbone interact. energy: -0.511
local terms energy: -135.623799
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -30.586
flat angles C4'-P-C4' energy: -32.056
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -28.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -415.958514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.958514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.958514 (E_RNA)
where:
Base-Base interactions energy: -258.552
where: short stacking energy: -132.602
Base-Backbone interact. energy: -0.342
local terms energy: -157.064532
where:
bonds (distance) C4'-P energy: -28.472
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -36.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -371.220449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.220449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.220449 (E_RNA)
where:
Base-Base interactions energy: -232.879
where: short stacking energy: -126.237
Base-Backbone interact. energy: 0.552
local terms energy: -138.893885
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -34.274
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -21.195
tors. eta vs tors. theta energy: -32.372
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: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -268.442620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.442620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.442620 (E_RNA)
where:
Base-Base interactions energy: -142.743
where: short stacking energy: -97.385
Base-Backbone interact. energy: -1.445
local terms energy: -124.253982
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -33.455
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -18.803
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: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -296.631264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.631264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.631264 (E_RNA)
where:
Base-Base interactions energy: -168.277
where: short stacking energy: -93.623
Base-Backbone interact. energy: -0.417
local terms energy: -127.936903
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -33.436
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -288.284568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.284568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.284568 (E_RNA)
where:
Base-Base interactions energy: -180.540
where: short stacking energy: -92.191
Base-Backbone interact. energy: -0.379
local terms energy: -107.365441
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -214.257876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.257876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.257876 (E_RNA)
where:
Base-Base interactions energy: -109.873
where: short stacking energy: -67.084
Base-Backbone interact. energy: 3.888
local terms energy: -108.272776
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -6.471
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: 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: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -469.780386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.780386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.780386 (E_RNA)
where:
Base-Base interactions energy: -304.535
where: short stacking energy: -148.178
Base-Backbone interact. energy: -0.075
local terms energy: -165.170864
where:
bonds (distance) C4'-P energy: -37.042
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -36.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -461.191495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.191495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.191495 (E_RNA)
where:
Base-Base interactions energy: -312.222
where: short stacking energy: -156.621
Base-Backbone interact. energy: -0.054
local terms energy: -148.916369
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -31.393
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -37.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -488.766712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.766712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.766712 (E_RNA)
where:
Base-Base interactions energy: -330.846
where: short stacking energy: -170.742
Base-Backbone interact. energy: -0.343
local terms energy: -157.578639
where:
bonds (distance) C4'-P energy: -30.164
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -37.559
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -38.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -376.246415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.246415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.246415 (E_RNA)
where:
Base-Base interactions energy: -226.205
where: short stacking energy: -113.470
Base-Backbone interact. energy: -0.599
local terms energy: -149.442197
where:
bonds (distance) C4'-P energy: -36.241
bonds (distance) P-C4' energy: -34.015
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -19.095
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: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -346.728190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.728190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.728190 (E_RNA)
where:
Base-Base interactions energy: -213.277
where: short stacking energy: -108.466
Base-Backbone interact. energy: -0.809
local terms energy: -132.642228
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -40.379
flat angles C4'-P-C4' energy: -29.584
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -270.873642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.873642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.873642 (E_RNA)
where:
Base-Base interactions energy: -151.550
where: short stacking energy: -88.765
Base-Backbone interact. energy: -1.088
local terms energy: -118.236143
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -32.305
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -317.431377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.431377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.431377 (E_RNA)
where:
Base-Base interactions energy: -204.047
where: short stacking energy: -86.061
Base-Backbone interact. energy: 0.044
local terms energy: -113.428024
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -30.277
flat angles P-C4'-P energy: -23.680
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -243.354475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.354475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.354475 (E_RNA)
where:
Base-Base interactions energy: -140.441
where: short stacking energy: -76.018
Base-Backbone interact. energy: 0.757
local terms energy: -103.670940
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -29.286
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -236.846614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.846614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.846614 (E_RNA)
where:
Base-Base interactions energy: -143.386
where: short stacking energy: -84.004
Base-Backbone interact. energy: -0.341
local terms energy: -93.119573
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -35.610
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -492.850552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.850552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.850552 (E_RNA)
where:
Base-Base interactions energy: -315.843
where: short stacking energy: -153.186
Base-Backbone interact. energy: -0.189
local terms energy: -176.818407
where:
bonds (distance) C4'-P energy: -34.581
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -38.149
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -47.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -476.164023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.164023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.164023 (E_RNA)
where:
Base-Base interactions energy: -331.795
where: short stacking energy: -163.974
Base-Backbone interact. energy: -0.281
local terms energy: -144.088093
where:
bonds (distance) C4'-P energy: -35.516
bonds (distance) P-C4' energy: -30.276
flat angles C4'-P-C4' energy: -28.530
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -31.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -449.932526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.932526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.932526 (E_RNA)
where:
Base-Base interactions energy: -289.270
where: short stacking energy: -132.318
Base-Backbone interact. energy: -0.352
local terms energy: -160.310531
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -39.567
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -466.372927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.372927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.372927 (E_RNA)
where:
Base-Base interactions energy: -298.523
where: short stacking energy: -144.978
Base-Backbone interact. energy: 1.544
local terms energy: -169.393789
where:
bonds (distance) C4'-P energy: -35.089
bonds (distance) P-C4' energy: -34.725
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -30.452
tors. eta vs tors. theta energy: -37.017
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: 20
Temperature: 1.100000
Total energy: -368.617531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.617531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.617531 (E_RNA)
where:
Base-Base interactions energy: -231.353
where: short stacking energy: -113.464
Base-Backbone interact. energy: 0.120
local terms energy: -137.384254
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -30.140
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -20.570
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: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -374.314167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.314167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.314167 (E_RNA)
where:
Base-Base interactions energy: -225.182
where: short stacking energy: -118.411
Base-Backbone interact. energy: -1.206
local terms energy: -147.925522
where:
bonds (distance) C4'-P energy: -32.107
bonds (distance) P-C4' energy: -36.888
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -27.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -317.073887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.073887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.073887 (E_RNA)
where:
Base-Base interactions energy: -201.955
where: short stacking energy: -107.448
Base-Backbone interact. energy: -0.404
local terms energy: -114.715022
where:
bonds (distance) C4'-P energy: -29.237
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -14.815
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: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -258.454262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.454262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.454262 (E_RNA)
where:
Base-Base interactions energy: -138.769
where: short stacking energy: -88.660
Base-Backbone interact. energy: 0.085
local terms energy: -119.770506
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -31.560
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -9.361
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: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -240.609926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.609926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.609926 (E_RNA)
where:
Base-Base interactions energy: -132.260
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.687
local terms energy: -107.663442
where:
bonds (distance) C4'-P energy: -27.170
bonds (distance) P-C4' energy: -27.362
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -229.206867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.206867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.206867 (E_RNA)
where:
Base-Base interactions energy: -119.251
where: short stacking energy: -61.648
Base-Backbone interact. energy: -1.904
local terms energy: -108.051791
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -27.723
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -507.467872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.467872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.467872 (E_RNA)
where:
Base-Base interactions energy: -328.180
where: short stacking energy: -170.709
Base-Backbone interact. energy: -2.699
local terms energy: -176.589311
where:
bonds (distance) C4'-P energy: -37.016
bonds (distance) P-C4' energy: -32.684
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: -47.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -505.359248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.359248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.359248 (E_RNA)
where:
Base-Base interactions energy: -346.271
where: short stacking energy: -153.601
Base-Backbone interact. energy: 1.118
local terms energy: -160.206294
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -36.746
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -35.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -448.654995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.654995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.654995 (E_RNA)
where:
Base-Base interactions energy: -288.844
where: short stacking energy: -146.858
Base-Backbone interact. energy: -0.577
local terms energy: -159.234537
where:
bonds (distance) C4'-P energy: -32.281
bonds (distance) P-C4' energy: -33.577
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -18.811
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -476.612657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.612657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.612657 (E_RNA)
where:
Base-Base interactions energy: -311.389
where: short stacking energy: -151.060
Base-Backbone interact. energy: -0.777
local terms energy: -164.445844
where:
bonds (distance) C4'-P energy: -33.782
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -35.205
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: -46.133
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: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -372.099477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.099477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.099477 (E_RNA)
where:
Base-Base interactions energy: -232.474
where: short stacking energy: -112.077
Base-Backbone interact. energy: -0.456
local terms energy: -139.169234
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -32.791
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -375.359867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.359867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.359867 (E_RNA)
where:
Base-Base interactions energy: -235.663
where: short stacking energy: -120.118
Base-Backbone interact. energy: 0.393
local terms energy: -140.090001
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -27.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -332.518176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.518176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.518176 (E_RNA)
where:
Base-Base interactions energy: -195.172
where: short stacking energy: -102.590
Base-Backbone interact. energy: 0.974
local terms energy: -138.320953
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -26.099
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -246.999600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.999600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.999600 (E_RNA)
where:
Base-Base interactions energy: -123.542
where: short stacking energy: -74.765
Base-Backbone interact. energy: -0.456
local terms energy: -123.000918
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -29.758
flat angles C4'-P-C4' energy: -30.493
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -7.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -240.320599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.320599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.320599 (E_RNA)
where:
Base-Base interactions energy: -130.045
where: short stacking energy: -79.115
Base-Backbone interact. energy: -0.458
local terms energy: -109.817324
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -31.449
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -215.971510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.971510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.971510 (E_RNA)
where:
Base-Base interactions energy: -110.715
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.683
local terms energy: -104.573158
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: 0.663
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: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -484.302765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.302765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.302765 (E_RNA)
where:
Base-Base interactions energy: -307.064
where: short stacking energy: -166.092
Base-Backbone interact. energy: -0.147
local terms energy: -177.092098
where:
bonds (distance) C4'-P energy: -35.706
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -39.839
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -43.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -480.950726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.950726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.950726 (E_RNA)
where:
Base-Base interactions energy: -326.969
where: short stacking energy: -157.811
Base-Backbone interact. energy: 4.710
local terms energy: -158.692223
where:
bonds (distance) C4'-P energy: -38.464
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -34.671
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: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -457.925941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.925941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.925941 (E_RNA)
where:
Base-Base interactions energy: -295.218
where: short stacking energy: -155.005
Base-Backbone interact. energy: -0.340
local terms energy: -162.368323
where:
bonds (distance) C4'-P energy: -34.808
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -33.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -449.721282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.721282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.721282 (E_RNA)
where:
Base-Base interactions energy: -298.715
where: short stacking energy: -143.250
Base-Backbone interact. energy: -1.044
local terms energy: -149.962253
where:
bonds (distance) C4'-P energy: -33.452
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -29.142
tors. eta vs tors. theta energy: -28.612
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: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -423.206402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.206402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.206402 (E_RNA)
where:
Base-Base interactions energy: -281.287
where: short stacking energy: -147.219
Base-Backbone interact. energy: -0.364
local terms energy: -141.555166
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -22.509
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: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -360.905211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.905211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.905211 (E_RNA)
where:
Base-Base interactions energy: -226.537
where: short stacking energy: -111.742
Base-Backbone interact. energy: -0.819
local terms energy: -133.549457
where:
bonds (distance) C4'-P energy: -31.369
bonds (distance) P-C4' energy: -34.914
flat angles C4'-P-C4' energy: -28.241
flat angles P-C4'-P energy: -19.666
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -324.750881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.750881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.750881 (E_RNA)
where:
Base-Base interactions energy: -191.996
where: short stacking energy: -96.450
Base-Backbone interact. energy: -0.427
local terms energy: -132.328015
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -32.219
flat angles P-C4'-P energy: -15.427
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -248.993890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.993890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.993890 (E_RNA)
where:
Base-Base interactions energy: -135.923
where: short stacking energy: -66.047
Base-Backbone interact. energy: -1.603
local terms energy: -111.468119
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -3.072
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: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -239.674695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.674695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.674695 (E_RNA)
where:
Base-Base interactions energy: -112.912
where: short stacking energy: -55.747
Base-Backbone interact. energy: -0.925
local terms energy: -125.837926
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -31.440
flat angles C4'-P-C4' energy: -32.621
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -203.666332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.666332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.666332 (E_RNA)
where:
Base-Base interactions energy: -109.821
where: short stacking energy: -66.461
Base-Backbone interact. energy: -0.782
local terms energy: -93.063772
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -26.150
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -4.187
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: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -504.167806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.167806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.167806 (E_RNA)
where:
Base-Base interactions energy: -320.686
where: short stacking energy: -165.884
Base-Backbone interact. energy: -1.166
local terms energy: -182.314907
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -41.427
flat angles P-C4'-P energy: -24.424
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: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -515.875160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.875160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.875160 (E_RNA)
where:
Base-Base interactions energy: -348.073
where: short stacking energy: -168.378
Base-Backbone interact. energy: -0.960
local terms energy: -166.841385
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -26.859
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: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -469.764380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.764380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.764380 (E_RNA)
where:
Base-Base interactions energy: -301.432
where: short stacking energy: -151.547
Base-Backbone interact. energy: -0.272
local terms energy: -168.061050
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -33.394
flat angles C4'-P-C4' energy: -39.528
flat angles P-C4'-P energy: -27.052
tors. eta vs tors. theta energy: -37.441
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: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -468.086263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.086263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.086263 (E_RNA)
where:
Base-Base interactions energy: -322.453
where: short stacking energy: -152.457
Base-Backbone interact. energy: 0.026
local terms energy: -145.659048
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -35.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -410.316076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.316076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.316076 (E_RNA)
where:
Base-Base interactions energy: -262.757
where: short stacking energy: -126.857
Base-Backbone interact. energy: 2.046
local terms energy: -149.605508
where:
bonds (distance) C4'-P energy: -31.637
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -33.530
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: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -360.403673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.403673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.403673 (E_RNA)
where:
Base-Base interactions energy: -231.395
where: short stacking energy: -105.932
Base-Backbone interact. energy: 0.184
local terms energy: -129.193544
where:
bonds (distance) C4'-P energy: -32.443
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -33.713
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -328.552263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.552263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.552263 (E_RNA)
where:
Base-Base interactions energy: -196.354
where: short stacking energy: -110.371
Base-Backbone interact. energy: -0.450
local terms energy: -131.747765
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -18.389
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: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -282.800451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.800451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.800451 (E_RNA)
where:
Base-Base interactions energy: -161.296
where: short stacking energy: -84.451
Base-Backbone interact. energy: 0.626
local terms energy: -122.131243
where:
bonds (distance) C4'-P energy: -29.767
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -22.799
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: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -267.414151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.414151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.414151 (E_RNA)
where:
Base-Base interactions energy: -141.220
where: short stacking energy: -92.530
Base-Backbone interact. energy: -0.054
local terms energy: -126.140091
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -30.650
flat angles C4'-P-C4' energy: -26.202
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -24.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -227.692483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.692483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.692483 (E_RNA)
where:
Base-Base interactions energy: -128.982
where: short stacking energy: -75.303
Base-Backbone interact. energy: -0.868
local terms energy: -97.842954
where:
bonds (distance) C4'-P energy: -31.430
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -4.859
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: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -514.665665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.665665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.665665 (E_RNA)
where:
Base-Base interactions energy: -357.268
where: short stacking energy: -169.812
Base-Backbone interact. energy: -0.574
local terms energy: -156.823282
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -32.024
flat angles C4'-P-C4' energy: -37.423
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -36.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -480.584084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.584084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.584084 (E_RNA)
where:
Base-Base interactions energy: -299.730
where: short stacking energy: -157.268
Base-Backbone interact. energy: 0.068
local terms energy: -180.922239
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -40.656
flat angles C4'-P-C4' energy: -40.108
flat angles P-C4'-P energy: -24.502
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: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -493.916738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.916738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.916738 (E_RNA)
where:
Base-Base interactions energy: -327.137
where: short stacking energy: -167.074
Base-Backbone interact. energy: -0.524
local terms energy: -166.255156
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -29.314
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -43.803
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: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -444.897710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.897710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.897710 (E_RNA)
where:
Base-Base interactions energy: -283.210
where: short stacking energy: -136.146
Base-Backbone interact. energy: -0.162
local terms energy: -161.526380
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -33.116
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -19.924
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: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -410.732644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.732644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.732644 (E_RNA)
where:
Base-Base interactions energy: -274.720
where: short stacking energy: -120.808
Base-Backbone interact. energy: -0.208
local terms energy: -135.803941
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -34.158
flat angles P-C4'-P energy: -24.855
tors. eta vs tors. theta energy: -26.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -365.581246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.581246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.581246 (E_RNA)
where:
Base-Base interactions energy: -231.047
where: short stacking energy: -114.745
Base-Backbone interact. energy: 0.250
local terms energy: -134.784552
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -33.852
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -22.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -312.389870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.389870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.389870 (E_RNA)
where:
Base-Base interactions energy: -183.289
where: short stacking energy: -83.297
Base-Backbone interact. energy: -0.429
local terms energy: -128.671295
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -21.463
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -334.982220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.982220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.982220 (E_RNA)
where:
Base-Base interactions energy: -200.790
where: short stacking energy: -111.228
Base-Backbone interact. energy: -1.461
local terms energy: -132.731115
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -26.000
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -239.713937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.713937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.713937 (E_RNA)
where:
Base-Base interactions energy: -134.758
where: short stacking energy: -78.928
Base-Backbone interact. energy: 1.908
local terms energy: -106.863840
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -226.155092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.155092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.155092 (E_RNA)
where:
Base-Base interactions energy: -120.210
where: short stacking energy: -76.163
Base-Backbone interact. energy: -0.325
local terms energy: -105.619800
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -505.315019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.315019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.315019 (E_RNA)
where:
Base-Base interactions energy: -332.584
where: short stacking energy: -151.032
Base-Backbone interact. energy: -0.325
local terms energy: -172.405733
where:
bonds (distance) C4'-P energy: -36.819
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -27.494
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: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -522.957723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.957723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.957723 (E_RNA)
where:
Base-Base interactions energy: -361.330
where: short stacking energy: -181.132
Base-Backbone interact. energy: 0.398
local terms energy: -162.026076
where:
bonds (distance) C4'-P energy: -32.701
bonds (distance) P-C4' energy: -25.630
flat angles C4'-P-C4' energy: -36.519
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -45.437
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: 25
Temperature: 1.000000
Total energy: -460.748102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.748102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.748102 (E_RNA)
where:
Base-Base interactions energy: -296.212
where: short stacking energy: -137.225
Base-Backbone interact. energy: 1.009
local terms energy: -165.544672
where:
bonds (distance) C4'-P energy: -30.131
bonds (distance) P-C4' energy: -38.135
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -21.231
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: 4, replica: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -445.778380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.778380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.778380 (E_RNA)
where:
Base-Base interactions energy: -297.944
where: short stacking energy: -149.645
Base-Backbone interact. energy: -0.504
local terms energy: -147.330287
where:
bonds (distance) C4'-P energy: -32.340
bonds (distance) P-C4' energy: -34.360
flat angles C4'-P-C4' energy: -29.721
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -42.811
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: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -412.324668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.324668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.324668 (E_RNA)
where:
Base-Base interactions energy: -263.130
where: short stacking energy: -133.910
Base-Backbone interact. energy: -0.237
local terms energy: -148.958158
where:
bonds (distance) C4'-P energy: -36.868
bonds (distance) P-C4' energy: -24.642
flat angles C4'-P-C4' energy: -27.253
flat angles P-C4'-P energy: -28.824
tors. eta vs tors. theta energy: -31.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -359.876199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.876199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.876199 (E_RNA)
where:
Base-Base interactions energy: -223.467
where: short stacking energy: -112.469
Base-Backbone interact. energy: 0.609
local terms energy: -137.018552
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -17.816
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: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -327.407597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.407597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.407597 (E_RNA)
where:
Base-Base interactions energy: -211.563
where: short stacking energy: -108.307
Base-Backbone interact. energy: -0.325
local terms energy: -115.519535
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -22.352
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: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -343.361038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.361038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.361038 (E_RNA)
where:
Base-Base interactions energy: -196.934
where: short stacking energy: -107.722
Base-Backbone interact. energy: 0.110
local terms energy: -146.536943
where:
bonds (distance) C4'-P energy: -38.973
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -33.649
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -24.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -245.924161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.924161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.924161 (E_RNA)
where:
Base-Base interactions energy: -135.610
where: short stacking energy: -83.994
Base-Backbone interact. energy: 1.014
local terms energy: -111.327787
where:
bonds (distance) C4'-P energy: -30.387
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -27.373
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -243.377632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.377632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.377632 (E_RNA)
where:
Base-Base interactions energy: -138.936
where: short stacking energy: -70.540
Base-Backbone interact. energy: 0.417
local terms energy: -104.859162
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -36.142
flat angles C4'-P-C4' energy: -32.596
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -4.097
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: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -528.150047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.150047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.150047 (E_RNA)
where:
Base-Base interactions energy: -350.430
where: short stacking energy: -169.306
Base-Backbone interact. energy: -0.747
local terms energy: -176.972870
where:
bonds (distance) C4'-P energy: -35.976
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -38.533
flat angles P-C4'-P energy: -27.697
tors. eta vs tors. theta energy: -42.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -493.429725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.429725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.429725 (E_RNA)
where:
Base-Base interactions energy: -338.914
where: short stacking energy: -157.564
Base-Backbone interact. energy: -0.567
local terms energy: -153.947762
where:
bonds (distance) C4'-P energy: -25.880
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -40.873
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -35.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -452.708427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.708427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.708427 (E_RNA)
where:
Base-Base interactions energy: -292.470
where: short stacking energy: -138.099
Base-Backbone interact. energy: 0.876
local terms energy: -161.114530
where:
bonds (distance) C4'-P energy: -35.301
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -34.702
flat angles P-C4'-P energy: -19.264
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: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -434.044390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.044390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.044390 (E_RNA)
where:
Base-Base interactions energy: -279.159
where: short stacking energy: -129.282
Base-Backbone interact. energy: 0.875
local terms energy: -155.760375
where:
bonds (distance) C4'-P energy: -30.904
bonds (distance) P-C4' energy: -35.347
flat angles C4'-P-C4' energy: -41.499
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -32.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -414.419965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.419965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.419965 (E_RNA)
where:
Base-Base interactions energy: -258.198
where: short stacking energy: -137.712
Base-Backbone interact. energy: -0.475
local terms energy: -155.746237
where:
bonds (distance) C4'-P energy: -22.518
bonds (distance) P-C4' energy: -29.491
flat angles C4'-P-C4' energy: -37.005
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: -38.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -340.278431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.278431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.278431 (E_RNA)
where:
Base-Base interactions energy: -218.416
where: short stacking energy: -107.016
Base-Backbone interact. energy: 0.083
local terms energy: -121.944852
where:
bonds (distance) C4'-P energy: -30.779
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -14.760
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: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -327.718118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.718118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.718118 (E_RNA)
where:
Base-Base interactions energy: -189.027
where: short stacking energy: -96.721
Base-Backbone interact. energy: -1.865
local terms energy: -136.826274
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -27.522
flat angles P-C4'-P energy: -27.436
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: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -323.022282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.022282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.022282 (E_RNA)
where:
Base-Base interactions energy: -205.021
where: short stacking energy: -96.851
Base-Backbone interact. energy: -0.951
local terms energy: -117.050509
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -29.618
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -8.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -258.441981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.441981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.441981 (E_RNA)
where:
Base-Base interactions energy: -139.228
where: short stacking energy: -84.784
Base-Backbone interact. energy: -0.634
local terms energy: -118.579854
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -38.011
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -7.474
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: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -242.695747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.695747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.695747 (E_RNA)
where:
Base-Base interactions energy: -136.109
where: short stacking energy: -70.558
Base-Backbone interact. energy: -0.426
local terms energy: -106.160673
where:
bonds (distance) C4'-P energy: -35.578
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -19.242
tors. eta vs tors. theta energy: -3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -515.522301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.522301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.522301 (E_RNA)
where:
Base-Base interactions energy: -333.519
where: short stacking energy: -161.305
Base-Backbone interact. energy: -0.790
local terms energy: -181.213235
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -37.762
flat angles C4'-P-C4' energy: -41.193
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -43.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -485.523774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.523774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.523774 (E_RNA)
where:
Base-Base interactions energy: -327.880
where: short stacking energy: -147.520
Base-Backbone interact. energy: -1.025
local terms energy: -156.618053
where:
bonds (distance) C4'-P energy: -34.013
bonds (distance) P-C4' energy: -38.822
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -32.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -452.717126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.717126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.717126 (E_RNA)
where:
Base-Base interactions energy: -292.195
where: short stacking energy: -136.925
Base-Backbone interact. energy: -0.210
local terms energy: -160.312498
where:
bonds (distance) C4'-P energy: -35.303
bonds (distance) P-C4' energy: -36.919
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -20.877
tors. eta vs tors. theta energy: -31.661
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: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -446.033509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.033509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.033509 (E_RNA)
where:
Base-Base interactions energy: -297.118
where: short stacking energy: -141.246
Base-Backbone interact. energy: -0.396
local terms energy: -148.519351
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -33.289
flat angles C4'-P-C4' energy: -29.268
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -30.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -413.978743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.978743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.978743 (E_RNA)
where:
Base-Base interactions energy: -263.631
where: short stacking energy: -130.859
Base-Backbone interact. energy: -0.116
local terms energy: -150.232242
where:
bonds (distance) C4'-P energy: -32.737
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -20.935
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: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -355.565660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.565660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.565660 (E_RNA)
where:
Base-Base interactions energy: -215.849
where: short stacking energy: -115.703
Base-Backbone interact. energy: -0.940
local terms energy: -138.777296
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -37.934
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -26.989
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: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -322.758297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.758297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.758297 (E_RNA)
where:
Base-Base interactions energy: -181.448
where: short stacking energy: -90.381
Base-Backbone interact. energy: -0.566
local terms energy: -140.743912
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -289.414553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.414553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.414553 (E_RNA)
where:
Base-Base interactions energy: -168.963
where: short stacking energy: -92.584
Base-Backbone interact. energy: -0.132
local terms energy: -120.319110
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -300.022911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.022911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.022911 (E_RNA)
where:
Base-Base interactions energy: -179.583
where: short stacking energy: -94.680
Base-Backbone interact. energy: -0.300
local terms energy: -120.139633
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -210.055658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.055658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.055658 (E_RNA)
where:
Base-Base interactions energy: -114.369
where: short stacking energy: -62.574
Base-Backbone interact. energy: 1.626
local terms energy: -97.312709
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -30.597
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: 1.389
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: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -521.566944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.566944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.566944 (E_RNA)
where:
Base-Base interactions energy: -356.262
where: short stacking energy: -156.150
Base-Backbone interact. energy: -0.697
local terms energy: -164.607856
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -35.569
flat angles C4'-P-C4' energy: -38.588
flat angles P-C4'-P energy: -26.490
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -515.552114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.552114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.552114 (E_RNA)
where:
Base-Base interactions energy: -341.296
where: short stacking energy: -146.104
Base-Backbone interact. energy: -0.967
local terms energy: -173.288905
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -36.305
flat angles P-C4'-P energy: -32.252
tors. eta vs tors. theta energy: -36.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -456.541551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.541551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.541551 (E_RNA)
where:
Base-Base interactions energy: -300.859
where: short stacking energy: -141.286
Base-Backbone interact. energy: 2.077
local terms energy: -157.759744
where:
bonds (distance) C4'-P energy: -30.727
bonds (distance) P-C4' energy: -33.657
flat angles C4'-P-C4' energy: -34.434
flat angles P-C4'-P energy: -22.102
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: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -448.587495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.587495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.587495 (E_RNA)
where:
Base-Base interactions energy: -283.134
where: short stacking energy: -137.521
Base-Backbone interact. energy: -0.369
local terms energy: -165.084246
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -39.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -393.256477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.256477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.256477 (E_RNA)
where:
Base-Base interactions energy: -261.862
where: short stacking energy: -120.991
Base-Backbone interact. energy: -0.224
local terms energy: -131.170791
where:
bonds (distance) C4'-P energy: -32.654
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -346.613504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.613504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.613504 (E_RNA)
where:
Base-Base interactions energy: -213.845
where: short stacking energy: -108.384
Base-Backbone interact. energy: -1.018
local terms energy: -131.750828
where:
bonds (distance) C4'-P energy: -30.743
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -23.648
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: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -343.181902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.181902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.181902 (E_RNA)
where:
Base-Base interactions energy: -204.464
where: short stacking energy: -99.759
Base-Backbone interact. energy: 0.307
local terms energy: -139.024151
where:
bonds (distance) C4'-P energy: -34.165
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -22.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -306.464605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.464605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.464605 (E_RNA)
where:
Base-Base interactions energy: -184.475
where: short stacking energy: -95.975
Base-Backbone interact. energy: -0.509
local terms energy: -121.480732
where:
bonds (distance) C4'-P energy: -32.803
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -24.286
flat angles P-C4'-P energy: -16.049
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: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -285.594874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.594874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.594874 (E_RNA)
where:
Base-Base interactions energy: -173.534
where: short stacking energy: -71.488
Base-Backbone interact. energy: 0.247
local terms energy: -112.308366
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -39.850
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -217.468176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.468176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.468176 (E_RNA)
where:
Base-Base interactions energy: -109.040
where: short stacking energy: -72.881
Base-Backbone interact. energy: 0.051
local terms energy: -108.478862
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -35.866
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -3.344
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: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -534.091560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.091560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.091560 (E_RNA)
where:
Base-Base interactions energy: -358.039
where: short stacking energy: -171.152
Base-Backbone interact. energy: -0.045
local terms energy: -176.007248
where:
bonds (distance) C4'-P energy: -37.184
bonds (distance) P-C4' energy: -32.183
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -26.646
tors. eta vs tors. theta energy: -40.885
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: 29
Temperature: 0.950000
Total energy: -531.410051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.410051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.410051 (E_RNA)
where:
Base-Base interactions energy: -355.926
where: short stacking energy: -160.985
Base-Backbone interact. energy: -0.708
local terms energy: -174.775339
where:
bonds (distance) C4'-P energy: -35.370
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -34.180
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: -40.649
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: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -467.509127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.509127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.509127 (E_RNA)
where:
Base-Base interactions energy: -300.787
where: short stacking energy: -151.928
Base-Backbone interact. energy: -0.421
local terms energy: -166.300556
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -37.007
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -35.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -450.048414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.048414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.048414 (E_RNA)
where:
Base-Base interactions energy: -293.721
where: short stacking energy: -131.107
Base-Backbone interact. energy: 0.335
local terms energy: -156.661936
where:
bonds (distance) C4'-P energy: -32.552
bonds (distance) P-C4' energy: -37.907
flat angles C4'-P-C4' energy: -31.744
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -374.569615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.569615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.569615 (E_RNA)
where:
Base-Base interactions energy: -239.931
where: short stacking energy: -119.918
Base-Backbone interact. energy: -0.366
local terms energy: -134.272869
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -35.537
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -23.281
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: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -351.306024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.306024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.306024 (E_RNA)
where:
Base-Base interactions energy: -202.046
where: short stacking energy: -99.951
Base-Backbone interact. energy: -0.358
local terms energy: -148.902177
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -24.751
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: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -329.964832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.964832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.964832 (E_RNA)
where:
Base-Base interactions energy: -214.551
where: short stacking energy: -111.759
Base-Backbone interact. energy: -0.171
local terms energy: -115.243038
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -27.966
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -20.117
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: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -321.150860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.150860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.150860 (E_RNA)
where:
Base-Base interactions energy: -183.739
where: short stacking energy: -87.289
Base-Backbone interact. energy: -0.549
local terms energy: -136.863059
where:
bonds (distance) C4'-P energy: -34.789
bonds (distance) P-C4' energy: -34.878
flat angles C4'-P-C4' energy: -32.155
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -324.793336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.793336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.793336 (E_RNA)
where:
Base-Base interactions energy: -209.453
where: short stacking energy: -98.105
Base-Backbone interact. energy: -0.348
local terms energy: -114.992215
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -29.347
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -215.567291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.567291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.567291 (E_RNA)
where:
Base-Base interactions energy: -129.369
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.132
local terms energy: -86.066656
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -32.365
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: 2.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -538.407317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.407317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.407317 (E_RNA)
where:
Base-Base interactions energy: -364.722
where: short stacking energy: -171.807
Base-Backbone interact. energy: -0.342
local terms energy: -173.343278
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -32.671
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -43.683
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: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -529.555305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.555305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.555305 (E_RNA)
where:
Base-Base interactions energy: -348.157
where: short stacking energy: -161.031
Base-Backbone interact. energy: -0.406
local terms energy: -180.992509
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -37.556
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: -41.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -457.419744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.419744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.419744 (E_RNA)
where:
Base-Base interactions energy: -292.989
where: short stacking energy: -124.378
Base-Backbone interact. energy: -0.493
local terms energy: -163.937181
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -39.362
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -34.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -432.043508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.043508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.043508 (E_RNA)
where:
Base-Base interactions energy: -280.071
where: short stacking energy: -136.074
Base-Backbone interact. energy: -0.606
local terms energy: -151.366703
where:
bonds (distance) C4'-P energy: -35.955
bonds (distance) P-C4' energy: -33.043
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -26.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -391.464107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.464107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.464107 (E_RNA)
where:
Base-Base interactions energy: -238.728
where: short stacking energy: -143.208
Base-Backbone interact. energy: 0.363
local terms energy: -153.099096
where:
bonds (distance) C4'-P energy: -29.233
bonds (distance) P-C4' energy: -35.946
flat angles C4'-P-C4' energy: -35.219
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -30.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -358.783770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.783770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.783770 (E_RNA)
where:
Base-Base interactions energy: -217.951
where: short stacking energy: -105.429
Base-Backbone interact. energy: -0.562
local terms energy: -140.270086
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -34.377
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -21.576
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: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -312.641052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.641052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.641052 (E_RNA)
where:
Base-Base interactions energy: -201.548
where: short stacking energy: -102.576
Base-Backbone interact. energy: 0.748
local terms energy: -111.840869
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -6.448
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: 30
Temperature: 1.250000
Total energy: -334.999114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.999114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.999114 (E_RNA)
where:
Base-Base interactions energy: -204.478
where: short stacking energy: -99.993
Base-Backbone interact. energy: -2.146
local terms energy: -128.376094
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -29.844
flat angles P-C4'-P energy: -25.553
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -332.603585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.603585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.603585 (E_RNA)
where:
Base-Base interactions energy: -199.195
where: short stacking energy: -92.511
Base-Backbone interact. energy: -0.804
local terms energy: -132.605356
where:
bonds (distance) C4'-P energy: -33.194
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -19.017
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: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -219.348712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.348712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.348712 (E_RNA)
where:
Base-Base interactions energy: -122.658
where: short stacking energy: -77.108
Base-Backbone interact. energy: -0.122
local terms energy: -96.568218
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -539.610622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.610622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.610622 (E_RNA)
where:
Base-Base interactions energy: -352.510
where: short stacking energy: -163.353
Base-Backbone interact. energy: -0.433
local terms energy: -186.667425
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -38.560
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -43.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -519.370494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.370494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.370494 (E_RNA)
where:
Base-Base interactions energy: -347.889
where: short stacking energy: -145.580
Base-Backbone interact. energy: 0.013
local terms energy: -171.494654
where:
bonds (distance) C4'-P energy: -32.187
bonds (distance) P-C4' energy: -34.293
flat angles C4'-P-C4' energy: -40.674
flat angles P-C4'-P energy: -31.916
tors. eta vs tors. theta energy: -32.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -466.133486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.133486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.133486 (E_RNA)
where:
Base-Base interactions energy: -314.287
where: short stacking energy: -155.529
Base-Backbone interact. energy: -0.241
local terms energy: -151.604766
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -35.108
flat angles C4'-P-C4' energy: -27.179
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -40.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -452.887702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.887702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.887702 (E_RNA)
where:
Base-Base interactions energy: -298.078
where: short stacking energy: -146.857
Base-Backbone interact. energy: -0.285
local terms energy: -154.524852
where:
bonds (distance) C4'-P energy: -27.697
bonds (distance) P-C4' energy: -27.407
flat angles C4'-P-C4' energy: -36.989
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: -40.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -394.470297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.470297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.470297 (E_RNA)
where:
Base-Base interactions energy: -250.185
where: short stacking energy: -126.035
Base-Backbone interact. energy: -1.563
local terms energy: -142.722853
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -38.589
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -345.224363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.224363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.224363 (E_RNA)
where:
Base-Base interactions energy: -212.797
where: short stacking energy: -122.247
Base-Backbone interact. energy: -0.187
local terms energy: -132.240428
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -32.456
flat angles C4'-P-C4' energy: -34.508
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -343.377155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.377155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.377155 (E_RNA)
where:
Base-Base interactions energy: -211.552
where: short stacking energy: -98.521
Base-Backbone interact. energy: -0.622
local terms energy: -131.203049
where:
bonds (distance) C4'-P energy: -31.492
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -24.360
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: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -312.789925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.789925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.789925 (E_RNA)
where:
Base-Base interactions energy: -176.576
where: short stacking energy: -90.920
Base-Backbone interact. energy: -1.734
local terms energy: -134.479671
where:
bonds (distance) C4'-P energy: -28.629
bonds (distance) P-C4' energy: -28.680
flat angles C4'-P-C4' energy: -37.280
flat angles P-C4'-P energy: -17.748
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -294.528153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.528153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.528153 (E_RNA)
where:
Base-Base interactions energy: -189.618
where: short stacking energy: -71.479
Base-Backbone interact. energy: -0.394
local terms energy: -104.516805
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -26.084
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -218.275313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.275313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.275313 (E_RNA)
where:
Base-Base interactions energy: -111.739
where: short stacking energy: -68.413
Base-Backbone interact. energy: -0.416
local terms energy: -106.120646
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -29.950
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -535.656152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.656152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.656152 (E_RNA)
where:
Base-Base interactions energy: -365.545
where: short stacking energy: -177.757
Base-Backbone interact. energy: -0.231
local terms energy: -169.879965
where:
bonds (distance) C4'-P energy: -32.591
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -38.346
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -46.509
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: 32
Temperature: 0.950000
Total energy: -531.182673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.182673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.182673 (E_RNA)
where:
Base-Base interactions energy: -357.141
where: short stacking energy: -164.555
Base-Backbone interact. energy: -0.963
local terms energy: -173.079085
where:
bonds (distance) C4'-P energy: -35.724
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -40.294
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -41.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -510.769536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.769536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.769536 (E_RNA)
where:
Base-Base interactions energy: -343.333
where: short stacking energy: -170.255
Base-Backbone interact. energy: -0.604
local terms energy: -166.832398
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -29.148
tors. eta vs tors. theta energy: -43.463
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: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -437.021636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.021636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.021636 (E_RNA)
where:
Base-Base interactions energy: -269.153
where: short stacking energy: -150.318
Base-Backbone interact. energy: -0.293
local terms energy: -167.575296
where:
bonds (distance) C4'-P energy: -37.197
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: -42.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -401.507351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.507351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.507351 (E_RNA)
where:
Base-Base interactions energy: -260.432
where: short stacking energy: -129.900
Base-Backbone interact. energy: -0.425
local terms energy: -140.650322
where:
bonds (distance) C4'-P energy: -28.251
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -27.738
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: -32.138
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: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -324.997592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.997592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.997592 (E_RNA)
where:
Base-Base interactions energy: -202.256
where: short stacking energy: -103.508
Base-Backbone interact. energy: -1.336
local terms energy: -121.405541
where:
bonds (distance) C4'-P energy: -28.957
bonds (distance) P-C4' energy: -30.290
flat angles C4'-P-C4' energy: -26.997
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -403.035984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.035984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.035984 (E_RNA)
where:
Base-Base interactions energy: -262.980
where: short stacking energy: -127.977
Base-Backbone interact. energy: -0.118
local terms energy: -139.938135
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -36.466
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -29.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -306.789627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.789627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.789627 (E_RNA)
where:
Base-Base interactions energy: -187.444
where: short stacking energy: -104.839
Base-Backbone interact. energy: -0.762
local terms energy: -118.582978
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -33.794
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -208.683763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.683763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.683763 (E_RNA)
where:
Base-Base interactions energy: -104.558
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.192
local terms energy: -103.932923
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -5.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -278.201666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.201666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.201666 (E_RNA)
where:
Base-Base interactions energy: -154.462
where: short stacking energy: -69.455
Base-Backbone interact. energy: -1.045
local terms energy: -122.695133
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -36.809
flat angles C4'-P-C4' energy: -30.754
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -10.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -529.763059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.763059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.763059 (E_RNA)
where:
Base-Base interactions energy: -346.203
where: short stacking energy: -161.183
Base-Backbone interact. energy: -0.284
local terms energy: -183.276523
where:
bonds (distance) C4'-P energy: -36.165
bonds (distance) P-C4' energy: -37.217
flat angles C4'-P-C4' energy: -39.743
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: -46.026
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: 33
Temperature: 0.950000
Total energy: -521.150830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.150830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.150830 (E_RNA)
where:
Base-Base interactions energy: -352.531
where: short stacking energy: -162.101
Base-Backbone interact. energy: 0.286
local terms energy: -168.906602
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -30.354
flat angles C4'-P-C4' energy: -38.985
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -40.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -510.028314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.028314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.028314 (E_RNA)
where:
Base-Base interactions energy: -333.271
where: short stacking energy: -168.331
Base-Backbone interact. energy: -0.215
local terms energy: -176.541995
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -32.184
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -28.736
tors. eta vs tors. theta energy: -47.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -423.695944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.695944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.695944 (E_RNA)
where:
Base-Base interactions energy: -265.248
where: short stacking energy: -143.907
Base-Backbone interact. energy: -0.455
local terms energy: -157.993331
where:
bonds (distance) C4'-P energy: -33.340
bonds (distance) P-C4' energy: -30.856
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -37.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -389.480181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.480181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.480181 (E_RNA)
where:
Base-Base interactions energy: -241.508
where: short stacking energy: -126.479
Base-Backbone interact. energy: -0.991
local terms energy: -146.980958
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -23.399
tors. eta vs tors. theta energy: -25.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -427.141394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.141394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.141394 (E_RNA)
where:
Base-Base interactions energy: -276.503
where: short stacking energy: -140.292
Base-Backbone interact. energy: 0.586
local terms energy: -151.224333
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -32.751
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -36.479
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: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -310.326725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.326725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.326725 (E_RNA)
where:
Base-Base interactions energy: -180.901
where: short stacking energy: -85.483
Base-Backbone interact. energy: 0.302
local terms energy: -129.727809
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -313.376376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.376376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.376376 (E_RNA)
where:
Base-Base interactions energy: -189.057
where: short stacking energy: -91.180
Base-Backbone interact. energy: -0.014
local terms energy: -124.305197
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -12.715
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: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -230.874186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.874186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.874186 (E_RNA)
where:
Base-Base interactions energy: -116.463
where: short stacking energy: -78.037
Base-Backbone interact. energy: -0.113
local terms energy: -114.297434
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -274.197351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.197351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.197351 (E_RNA)
where:
Base-Base interactions energy: -161.976
where: short stacking energy: -79.866
Base-Backbone interact. energy: 0.333
local terms energy: -112.554679
where:
bonds (distance) C4'-P energy: -29.510
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -543.375397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.375397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.375397 (E_RNA)
where:
Base-Base interactions energy: -361.478
where: short stacking energy: -172.490
Base-Backbone interact. energy: -0.072
local terms energy: -181.824794
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -36.030
flat angles P-C4'-P energy: -27.663
tors. eta vs tors. theta energy: -49.303
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: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -534.138601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.138601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.138601 (E_RNA)
where:
Base-Base interactions energy: -365.961
where: short stacking energy: -173.433
Base-Backbone interact. energy: -0.322
local terms energy: -167.855712
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -47.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -453.655333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.655333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.655333 (E_RNA)
where:
Base-Base interactions energy: -283.546
where: short stacking energy: -161.116
Base-Backbone interact. energy: -0.023
local terms energy: -170.086446
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -45.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -497.743981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.743981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.743981 (E_RNA)
where:
Base-Base interactions energy: -324.742
where: short stacking energy: -158.879
Base-Backbone interact. energy: -0.769
local terms energy: -172.233317
where:
bonds (distance) C4'-P energy: -26.064
bonds (distance) P-C4' energy: -37.985
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -25.626
tors. eta vs tors. theta energy: -49.259
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: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -452.238609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.238609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.238609 (E_RNA)
where:
Base-Base interactions energy: -294.252
where: short stacking energy: -139.947
Base-Backbone interact. energy: -0.954
local terms energy: -157.032066
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: -37.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -371.513507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.513507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.513507 (E_RNA)
where:
Base-Base interactions energy: -233.990
where: short stacking energy: -122.838
Base-Backbone interact. energy: 0.129
local terms energy: -137.652411
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -31.863
flat angles C4'-P-C4' energy: -32.912
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -25.883
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: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -331.870245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.870245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.870245 (E_RNA)
where:
Base-Base interactions energy: -206.029
where: short stacking energy: -113.492
Base-Backbone interact. energy: -0.500
local terms energy: -125.341736
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -37.772
flat angles P-C4'-P energy: -18.409
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: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -310.005300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.005300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.005300 (E_RNA)
where:
Base-Base interactions energy: -170.028
where: short stacking energy: -95.464
Base-Backbone interact. energy: -0.661
local terms energy: -139.316127
where:
bonds (distance) C4'-P energy: -29.257
bonds (distance) P-C4' energy: -29.785
flat angles C4'-P-C4' energy: -35.942
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -20.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -308.710827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.710827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.710827 (E_RNA)
where:
Base-Base interactions energy: -193.060
where: short stacking energy: -84.668
Base-Backbone interact. energy: -0.818
local terms energy: -114.832868
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -34.400
flat angles C4'-P-C4' energy: -27.271
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -229.268060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.268060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.268060 (E_RNA)
where:
Base-Base interactions energy: -128.912
where: short stacking energy: -81.286
Base-Backbone interact. energy: -0.313
local terms energy: -100.043138
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -546.998688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.998688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.998688 (E_RNA)
where:
Base-Base interactions energy: -365.475
where: short stacking energy: -171.232
Base-Backbone interact. energy: -0.156
local terms energy: -181.367637
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -33.495
flat angles C4'-P-C4' energy: -38.841
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -46.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -526.736678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.736678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.736678 (E_RNA)
where:
Base-Base interactions energy: -348.566
where: short stacking energy: -166.678
Base-Backbone interact. energy: 0.016
local terms energy: -178.186830
where:
bonds (distance) C4'-P energy: -36.091
bonds (distance) P-C4' energy: -34.912
flat angles C4'-P-C4' energy: -41.586
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -42.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -439.060389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.060389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.060389 (E_RNA)
where:
Base-Base interactions energy: -261.902
where: short stacking energy: -152.130
Base-Backbone interact. energy: -0.972
local terms energy: -176.186893
where:
bonds (distance) C4'-P energy: -37.444
bonds (distance) P-C4' energy: -35.890
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -43.058
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -495.161472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.161472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.161472 (E_RNA)
where:
Base-Base interactions energy: -329.774
where: short stacking energy: -165.091
Base-Backbone interact. energy: -0.477
local terms energy: -164.910044
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -44.367
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: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -438.485849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.485849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.485849 (E_RNA)
where:
Base-Base interactions energy: -293.316
where: short stacking energy: -130.146
Base-Backbone interact. energy: -0.412
local terms energy: -144.758198
where:
bonds (distance) C4'-P energy: -34.911
bonds (distance) P-C4' energy: -31.354
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -27.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -337.160555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.160555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.160555 (E_RNA)
where:
Base-Base interactions energy: -204.279
where: short stacking energy: -109.092
Base-Backbone interact. energy: 0.006
local terms energy: -132.887144
where:
bonds (distance) C4'-P energy: -30.682
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -35.924
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -350.306081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.306081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.306081 (E_RNA)
where:
Base-Base interactions energy: -211.573
where: short stacking energy: -114.994
Base-Backbone interact. energy: -0.049
local terms energy: -138.683902
where:
bonds (distance) C4'-P energy: -24.781
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -32.907
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -315.389601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.389601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.389601 (E_RNA)
where:
Base-Base interactions energy: -188.179
where: short stacking energy: -94.895
Base-Backbone interact. energy: 0.836
local terms energy: -128.046568
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -35.074
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -305.001245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.001245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.001245 (E_RNA)
where:
Base-Base interactions energy: -183.686
where: short stacking energy: -84.256
Base-Backbone interact. energy: 0.885
local terms energy: -122.199854
where:
bonds (distance) C4'-P energy: -34.361
bonds (distance) P-C4' energy: -28.644
flat angles C4'-P-C4' energy: -35.785
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -8.978
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: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -235.241686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.241686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.241686 (E_RNA)
where:
Base-Base interactions energy: -125.536
where: short stacking energy: -72.591
Base-Backbone interact. energy: -0.677
local terms energy: -109.029336
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -24.150
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: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -551.269158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.269158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.269158 (E_RNA)
where:
Base-Base interactions energy: -365.093
where: short stacking energy: -186.272
Base-Backbone interact. energy: -0.243
local terms energy: -185.932437
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -38.247
flat angles C4'-P-C4' energy: -41.593
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: -47.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -535.270201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.270201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.270201 (E_RNA)
where:
Base-Base interactions energy: -364.358
where: short stacking energy: -169.362
Base-Backbone interact. energy: 0.205
local terms energy: -171.116881
where:
bonds (distance) C4'-P energy: -32.929
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -38.230
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -49.411
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: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -524.617920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.617920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.617920 (E_RNA)
where:
Base-Base interactions energy: -349.138
where: short stacking energy: -167.650
Base-Backbone interact. energy: -0.452
local terms energy: -175.027681
where:
bonds (distance) C4'-P energy: -30.091
bonds (distance) P-C4' energy: -38.876
flat angles C4'-P-C4' energy: -34.407
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -48.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -420.200733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.200733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.200733 (E_RNA)
where:
Base-Base interactions energy: -259.601
where: short stacking energy: -146.400
Base-Backbone interact. energy: -0.562
local terms energy: -160.037432
where:
bonds (distance) C4'-P energy: -33.991
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -39.275
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: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -444.479407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.479407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.479407 (E_RNA)
where:
Base-Base interactions energy: -290.513
where: short stacking energy: -133.885
Base-Backbone interact. energy: -0.082
local terms energy: -153.883710
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -34.691
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -33.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -320.739955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.739955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.739955 (E_RNA)
where:
Base-Base interactions energy: -198.243
where: short stacking energy: -103.062
Base-Backbone interact. energy: -0.585
local terms energy: -121.911813
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -31.669
flat angles C4'-P-C4' energy: -33.774
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -14.902
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: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -344.948783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.948783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.948783 (E_RNA)
where:
Base-Base interactions energy: -220.787
where: short stacking energy: -110.755
Base-Backbone interact. energy: -0.439
local terms energy: -123.722992
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -303.826278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.826278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.826278 (E_RNA)
where:
Base-Base interactions energy: -180.917
where: short stacking energy: -81.768
Base-Backbone interact. energy: -0.495
local terms energy: -122.414778
where:
bonds (distance) C4'-P energy: -31.386
bonds (distance) P-C4' energy: -29.727
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -284.063908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.063908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.063908 (E_RNA)
where:
Base-Base interactions energy: -162.385
where: short stacking energy: -89.151
Base-Backbone interact. energy: -0.118
local terms energy: -121.560967
where:
bonds (distance) C4'-P energy: -33.280
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -226.471096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.471096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.471096 (E_RNA)
where:
Base-Base interactions energy: -116.958
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.407
local terms energy: -109.106155
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -25.947
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -565.760448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.760448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.760448 (E_RNA)
where:
Base-Base interactions energy: -381.348
where: short stacking energy: -183.517
Base-Backbone interact. energy: 0.389
local terms energy: -184.801911
where:
bonds (distance) C4'-P energy: -38.504
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -35.568
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -51.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -530.278918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.278918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.278918 (E_RNA)
where:
Base-Base interactions energy: -354.638
where: short stacking energy: -172.205
Base-Backbone interact. energy: 0.276
local terms energy: -175.917091
where:
bonds (distance) C4'-P energy: -34.302
bonds (distance) P-C4' energy: -38.251
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: -46.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -512.587258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.587258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.587258 (E_RNA)
where:
Base-Base interactions energy: -344.794
where: short stacking energy: -156.718
Base-Backbone interact. energy: -0.392
local terms energy: -167.401232
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -36.892
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -41.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -472.387642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.387642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.387642 (E_RNA)
where:
Base-Base interactions energy: -308.197
where: short stacking energy: -163.352
Base-Backbone interact. energy: -0.449
local terms energy: -163.742203
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -34.182
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -20.253
tors. eta vs tors. theta energy: -42.383
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: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -381.082095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.082095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.082095 (E_RNA)
where:
Base-Base interactions energy: -245.216
where: short stacking energy: -129.474
Base-Backbone interact. energy: -0.650
local terms energy: -135.216142
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -38.643
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -23.602
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: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -349.294455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.294455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.294455 (E_RNA)
where:
Base-Base interactions energy: -212.563
where: short stacking energy: -103.604
Base-Backbone interact. energy: -0.708
local terms energy: -136.022746
where:
bonds (distance) C4'-P energy: -27.138
bonds (distance) P-C4' energy: -32.932
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -19.753
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: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -338.960766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.960766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.960766 (E_RNA)
where:
Base-Base interactions energy: -205.708
where: short stacking energy: -115.859
Base-Backbone interact. energy: 0.425
local terms energy: -133.677931
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -27.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -317.662438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.662438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.662438 (E_RNA)
where:
Base-Base interactions energy: -192.589
where: short stacking energy: -96.887
Base-Backbone interact. energy: -0.831
local terms energy: -124.242792
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -34.355
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -295.725411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.725411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.725411 (E_RNA)
where:
Base-Base interactions energy: -174.346
where: short stacking energy: -102.523
Base-Backbone interact. energy: -0.802
local terms energy: -120.577316
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -226.193675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.193675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.193675 (E_RNA)
where:
Base-Base interactions energy: -110.245
where: short stacking energy: -65.903
Base-Backbone interact. energy: -0.528
local terms energy: -115.420809
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -37.168
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -539.736168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.736168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.736168 (E_RNA)
where:
Base-Base interactions energy: -354.112
where: short stacking energy: -176.718
Base-Backbone interact. energy: -0.044
local terms energy: -185.580857
where:
bonds (distance) C4'-P energy: -37.356
bonds (distance) P-C4' energy: -32.656
flat angles C4'-P-C4' energy: -41.167
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -50.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -541.167980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.167980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.167980 (E_RNA)
where:
Base-Base interactions energy: -363.352
where: short stacking energy: -161.692
Base-Backbone interact. energy: -0.141
local terms energy: -177.674969
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -32.365
flat angles C4'-P-C4' energy: -39.042
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -47.970
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: 38
Temperature: 1.000000
Total energy: -504.458536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.458536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.458536 (E_RNA)
where:
Base-Base interactions energy: -351.811
where: short stacking energy: -153.367
Base-Backbone interact. energy: 0.065
local terms energy: -152.713139
where:
bonds (distance) C4'-P energy: -30.900
bonds (distance) P-C4' energy: -29.266
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -38.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -460.108826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.108826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.108826 (E_RNA)
where:
Base-Base interactions energy: -311.154
where: short stacking energy: -147.667
Base-Backbone interact. energy: 2.508
local terms energy: -151.462862
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -36.325
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -26.459
tors. eta vs tors. theta energy: -34.193
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: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -416.845072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.845072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.845072 (E_RNA)
where:
Base-Base interactions energy: -268.405
where: short stacking energy: -142.412
Base-Backbone interact. energy: -0.068
local terms energy: -148.371430
where:
bonds (distance) C4'-P energy: -26.893
bonds (distance) P-C4' energy: -31.650
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -40.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -327.008279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.008279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.008279 (E_RNA)
where:
Base-Base interactions energy: -199.808
where: short stacking energy: -100.421
Base-Backbone interact. energy: -0.931
local terms energy: -126.269533
where:
bonds (distance) C4'-P energy: -26.290
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -343.737230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.737230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.737230 (E_RNA)
where:
Base-Base interactions energy: -197.841
where: short stacking energy: -98.080
Base-Backbone interact. energy: -0.132
local terms energy: -145.763832
where:
bonds (distance) C4'-P energy: -35.521
bonds (distance) P-C4' energy: -37.555
flat angles C4'-P-C4' energy: -32.384
flat angles P-C4'-P energy: -25.030
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -289.466803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.466803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.466803 (E_RNA)
where:
Base-Base interactions energy: -154.999
where: short stacking energy: -82.202
Base-Backbone interact. energy: 0.538
local terms energy: -135.005791
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -297.816291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.816291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.816291 (E_RNA)
where:
Base-Base interactions energy: -178.266
where: short stacking energy: -95.486
Base-Backbone interact. energy: 0.778
local terms energy: -120.327694
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -32.396
flat angles P-C4'-P energy: -19.353
tors. eta vs tors. theta energy: -12.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -245.322338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.322338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.322338 (E_RNA)
where:
Base-Base interactions energy: -134.148
where: short stacking energy: -73.508
Base-Backbone interact. energy: -1.270
local terms energy: -109.904946
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -539.462534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.462534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.462534 (E_RNA)
where:
Base-Base interactions energy: -346.478
where: short stacking energy: -168.676
Base-Backbone interact. energy: -0.087
local terms energy: -192.897137
where:
bonds (distance) C4'-P energy: -37.593
bonds (distance) P-C4' energy: -31.072
flat angles C4'-P-C4' energy: -40.183
flat angles P-C4'-P energy: -32.152
tors. eta vs tors. theta energy: -51.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -534.620389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.620389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.620389 (E_RNA)
where:
Base-Base interactions energy: -361.686
where: short stacking energy: -172.485
Base-Backbone interact. energy: -0.114
local terms energy: -172.819751
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -36.080
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: -48.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -506.588825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.588825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.588825 (E_RNA)
where:
Base-Base interactions energy: -343.098
where: short stacking energy: -149.617
Base-Backbone interact. energy: -0.721
local terms energy: -162.770547
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -39.734
flat angles P-C4'-P energy: -16.778
tors. eta vs tors. theta energy: -34.181
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: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -447.495770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.495770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.495770 (E_RNA)
where:
Base-Base interactions energy: -290.011
where: short stacking energy: -142.430
Base-Backbone interact. energy: -0.286
local terms energy: -157.199597
where:
bonds (distance) C4'-P energy: -32.794
bonds (distance) P-C4' energy: -33.520
flat angles C4'-P-C4' energy: -34.676
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -32.751
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: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -436.553162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.553162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.553162 (E_RNA)
where:
Base-Base interactions energy: -284.930
where: short stacking energy: -124.019
Base-Backbone interact. energy: -1.395
local terms energy: -150.228085
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -34.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -350.626642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.626642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.626642 (E_RNA)
where:
Base-Base interactions energy: -219.246
where: short stacking energy: -106.821
Base-Backbone interact. energy: 1.004
local terms energy: -132.384525
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -16.371
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: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -344.960346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.960346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.960346 (E_RNA)
where:
Base-Base interactions energy: -212.282
where: short stacking energy: -112.760
Base-Backbone interact. energy: 0.002
local terms energy: -132.680217
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -33.068
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -308.756620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.756620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.756620 (E_RNA)
where:
Base-Base interactions energy: -190.438
where: short stacking energy: -76.374
Base-Backbone interact. energy: -1.093
local terms energy: -117.225585
where:
bonds (distance) C4'-P energy: -30.971
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -26.805
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -10.528
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: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -303.872062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.872062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.872062 (E_RNA)
where:
Base-Base interactions energy: -182.227
where: short stacking energy: -92.525
Base-Backbone interact. energy: -0.422
local terms energy: -121.222683
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -29.518
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -207.554832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.554832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.554832 (E_RNA)
where:
Base-Base interactions energy: -92.025
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.461
local terms energy: -115.068881
where:
bonds (distance) C4'-P energy: -31.786
bonds (distance) P-C4' energy: -32.347
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -18.823
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: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -545.141415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.141415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.141415 (E_RNA)
where:
Base-Base interactions energy: -365.222
where: short stacking energy: -167.778
Base-Backbone interact. energy: -0.328
local terms energy: -179.591665
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -38.576
flat angles C4'-P-C4' energy: -35.594
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -50.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -525.928455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.928455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.928455 (E_RNA)
where:
Base-Base interactions energy: -355.147
where: short stacking energy: -179.523
Base-Backbone interact. energy: -0.498
local terms energy: -170.283950
where:
bonds (distance) C4'-P energy: -31.830
bonds (distance) P-C4' energy: -31.669
flat angles C4'-P-C4' energy: -34.032
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -48.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -496.651604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.651604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.651604 (E_RNA)
where:
Base-Base interactions energy: -338.689
where: short stacking energy: -155.872
Base-Backbone interact. energy: -1.545
local terms energy: -156.416742
where:
bonds (distance) C4'-P energy: -30.933
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -36.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -450.661656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.661656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.661656 (E_RNA)
where:
Base-Base interactions energy: -288.244
where: short stacking energy: -137.903
Base-Backbone interact. energy: -0.242
local terms energy: -162.175656
where:
bonds (distance) C4'-P energy: -33.329
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -36.399
flat angles P-C4'-P energy: -27.990
tors. eta vs tors. theta energy: -35.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -451.042330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.042330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.042330 (E_RNA)
where:
Base-Base interactions energy: -309.156
where: short stacking energy: -143.631
Base-Backbone interact. energy: -0.574
local terms energy: -141.312488
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -31.775
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -18.698
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: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -344.793448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.793448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.793448 (E_RNA)
where:
Base-Base interactions energy: -212.115
where: short stacking energy: -105.279
Base-Backbone interact. energy: 0.440
local terms energy: -133.117865
where:
bonds (distance) C4'-P energy: -34.373
bonds (distance) P-C4' energy: -25.978
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -339.474111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.474111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.474111 (E_RNA)
where:
Base-Base interactions energy: -210.806
where: short stacking energy: -121.514
Base-Backbone interact. energy: -0.354
local terms energy: -128.313691
where:
bonds (distance) C4'-P energy: -27.144
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -21.052
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: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -298.680991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.680991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.680991 (E_RNA)
where:
Base-Base interactions energy: -176.968
where: short stacking energy: -84.396
Base-Backbone interact. energy: 1.589
local terms energy: -123.302016
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -31.543
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -296.408464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.408464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.408464 (E_RNA)
where:
Base-Base interactions energy: -176.119
where: short stacking energy: -92.646
Base-Backbone interact. energy: -1.090
local terms energy: -119.199895
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -14.637
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: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -224.349697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.349697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.349697 (E_RNA)
where:
Base-Base interactions energy: -108.397
where: short stacking energy: -55.098
Base-Backbone interact. energy: 0.168
local terms energy: -116.119997
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -33.466
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -546.394295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.394295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.394295 (E_RNA)
where:
Base-Base interactions energy: -366.570
where: short stacking energy: -175.787
Base-Backbone interact. energy: -0.092
local terms energy: -179.732716
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: -47.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -539.183813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.183813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.183813 (E_RNA)
where:
Base-Base interactions energy: -353.368
where: short stacking energy: -177.897
Base-Backbone interact. energy: -0.599
local terms energy: -185.216865
where:
bonds (distance) C4'-P energy: -30.534
bonds (distance) P-C4' energy: -38.892
flat angles C4'-P-C4' energy: -37.637
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -50.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -506.336862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.336862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.336862 (E_RNA)
where:
Base-Base interactions energy: -348.273
where: short stacking energy: -152.906
Base-Backbone interact. energy: -0.679
local terms energy: -157.385256
where:
bonds (distance) C4'-P energy: -28.879
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -19.996
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: 41
Temperature: 1.050000
Total energy: -432.495043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.495043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.495043 (E_RNA)
where:
Base-Base interactions energy: -272.817
where: short stacking energy: -137.221
Base-Backbone interact. energy: -0.350
local terms energy: -159.328708
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -33.498
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -23.320
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: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -442.166359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.166359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.166359 (E_RNA)
where:
Base-Base interactions energy: -287.228
where: short stacking energy: -140.986
Base-Backbone interact. energy: -0.487
local terms energy: -154.451354
where:
bonds (distance) C4'-P energy: -27.624
bonds (distance) P-C4' energy: -32.503
flat angles C4'-P-C4' energy: -34.380
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -39.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -366.163189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.163189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.163189 (E_RNA)
where:
Base-Base interactions energy: -239.305
where: short stacking energy: -121.657
Base-Backbone interact. energy: -0.169
local terms energy: -126.688933
where:
bonds (distance) C4'-P energy: -25.080
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -31.436
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -22.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -353.184013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.184013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.184013 (E_RNA)
where:
Base-Base interactions energy: -219.170
where: short stacking energy: -109.115
Base-Backbone interact. energy: -0.635
local terms energy: -133.379320
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -12.147
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: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -325.633268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.633268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.633268 (E_RNA)
where:
Base-Base interactions energy: -194.004
where: short stacking energy: -97.344
Base-Backbone interact. energy: -0.359
local terms energy: -131.269885
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -26.733
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: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -300.589346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.589346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.589346 (E_RNA)
where:
Base-Base interactions energy: -182.130
where: short stacking energy: -94.438
Base-Backbone interact. energy: -0.871
local terms energy: -117.587833
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -215.769199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.769199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.769199 (E_RNA)
where:
Base-Base interactions energy: -119.832
where: short stacking energy: -65.812
Base-Backbone interact. energy: -1.184
local terms energy: -94.753072
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -552.078345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.078345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.078345 (E_RNA)
where:
Base-Base interactions energy: -359.679
where: short stacking energy: -177.775
Base-Backbone interact. energy: -0.746
local terms energy: -191.653075
where:
bonds (distance) C4'-P energy: -37.471
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -42.091
flat angles P-C4'-P energy: -28.659
tors. eta vs tors. theta energy: -50.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -536.245614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.245614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.245614 (E_RNA)
where:
Base-Base interactions energy: -356.935
where: short stacking energy: -165.137
Base-Backbone interact. energy: -0.116
local terms energy: -179.194153
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -36.763
flat angles C4'-P-C4' energy: -39.736
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -44.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -489.969506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.969506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.969506 (E_RNA)
where:
Base-Base interactions energy: -347.371
where: short stacking energy: -155.417
Base-Backbone interact. energy: -0.519
local terms energy: -142.078899
where:
bonds (distance) C4'-P energy: -26.163
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -32.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -414.525759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.525759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.525759 (E_RNA)
where:
Base-Base interactions energy: -256.359
where: short stacking energy: -138.344
Base-Backbone interact. energy: -0.499
local terms energy: -157.667831
where:
bonds (distance) C4'-P energy: -27.285
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -25.018
tors. eta vs tors. theta energy: -35.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -425.720983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.720983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.720983 (E_RNA)
where:
Base-Base interactions energy: -272.754
where: short stacking energy: -143.945
Base-Backbone interact. energy: -0.149
local terms energy: -152.818133
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -27.258
flat angles C4'-P-C4' energy: -34.872
flat angles P-C4'-P energy: -26.551
tors. eta vs tors. theta energy: -34.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -379.787036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.787036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.787036 (E_RNA)
where:
Base-Base interactions energy: -240.995
where: short stacking energy: -110.968
Base-Backbone interact. energy: -0.350
local terms energy: -138.441337
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -32.049
flat angles C4'-P-C4' energy: -36.289
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -25.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -345.925978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.925978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.925978 (E_RNA)
where:
Base-Base interactions energy: -220.495
where: short stacking energy: -102.308
Base-Backbone interact. energy: 5.428
local terms energy: -130.858778
where:
bonds (distance) C4'-P energy: -32.497
bonds (distance) P-C4' energy: -25.869
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -336.346493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.346493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.346493 (E_RNA)
where:
Base-Base interactions energy: -230.587
where: short stacking energy: -93.051
Base-Backbone interact. energy: 0.046
local terms energy: -105.805035
where:
bonds (distance) C4'-P energy: -31.537
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -32.106
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -307.263417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.263417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.263417 (E_RNA)
where:
Base-Base interactions energy: -204.225
where: short stacking energy: -91.171
Base-Backbone interact. energy: -0.027
local terms energy: -103.011255
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -229.285858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.285858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.285858 (E_RNA)
where:
Base-Base interactions energy: -125.648
where: short stacking energy: -73.857
Base-Backbone interact. energy: -0.512
local terms energy: -103.126001
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -536.263414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.263414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.263414 (E_RNA)
where:
Base-Base interactions energy: -355.414
where: short stacking energy: -174.074
Base-Backbone interact. energy: -0.058
local terms energy: -180.791155
where:
bonds (distance) C4'-P energy: -34.304
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -34.998
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -48.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -540.772561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.772561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.772561 (E_RNA)
where:
Base-Base interactions energy: -355.045
where: short stacking energy: -169.435
Base-Backbone interact. energy: -0.282
local terms energy: -185.445921
where:
bonds (distance) C4'-P energy: -38.817
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -40.400
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -44.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -489.382106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.382106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.382106 (E_RNA)
where:
Base-Base interactions energy: -344.365
where: short stacking energy: -150.392
Base-Backbone interact. energy: 1.468
local terms energy: -146.485529
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -36.095
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -33.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -460.520687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.520687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.520687 (E_RNA)
where:
Base-Base interactions energy: -301.964
where: short stacking energy: -152.625
Base-Backbone interact. energy: -0.465
local terms energy: -158.091042
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -37.190
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -40.273
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: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -444.571706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.571706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.571706 (E_RNA)
where:
Base-Base interactions energy: -293.491
where: short stacking energy: -148.383
Base-Backbone interact. energy: 0.623
local terms energy: -151.703551
where:
bonds (distance) C4'-P energy: -26.961
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -19.887
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: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -353.363550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.363550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.363550 (E_RNA)
where:
Base-Base interactions energy: -225.316
where: short stacking energy: -113.188
Base-Backbone interact. energy: 1.128
local terms energy: -129.175706
where:
bonds (distance) C4'-P energy: -27.960
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -25.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -339.595004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.595004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.595004 (E_RNA)
where:
Base-Base interactions energy: -207.163
where: short stacking energy: -108.484
Base-Backbone interact. energy: 0.269
local terms energy: -132.700879
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -32.453
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -29.351
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: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -334.603307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.603307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.603307 (E_RNA)
where:
Base-Base interactions energy: -212.799
where: short stacking energy: -92.750
Base-Backbone interact. energy: -0.545
local terms energy: -121.259861
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -31.807
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -304.786509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.786509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.786509 (E_RNA)
where:
Base-Base interactions energy: -169.650
where: short stacking energy: -85.602
Base-Backbone interact. energy: 2.708
local terms energy: -137.844055
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -228.745858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.745858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.745858 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -68.142
Base-Backbone interact. energy: -0.733
local terms energy: -110.731043
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -553.314297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.314297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.314297 (E_RNA)
where:
Base-Base interactions energy: -372.523
where: short stacking energy: -183.503
Base-Backbone interact. energy: 0.218
local terms energy: -181.009647
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -36.661
flat angles P-C4'-P energy: -29.821
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: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -524.255812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.255812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.255812 (E_RNA)
where:
Base-Base interactions energy: -357.190
where: short stacking energy: -185.457
Base-Backbone interact. energy: 0.202
local terms energy: -167.267959
where:
bonds (distance) C4'-P energy: -31.287
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -50.598
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: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -474.453597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.453597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.453597 (E_RNA)
where:
Base-Base interactions energy: -306.547
where: short stacking energy: -153.125
Base-Backbone interact. energy: -1.950
local terms energy: -165.956318
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -39.367
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -20.888
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: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -475.495873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.495873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.495873 (E_RNA)
where:
Base-Base interactions energy: -321.809
where: short stacking energy: -150.010
Base-Backbone interact. energy: -0.777
local terms energy: -152.910068
where:
bonds (distance) C4'-P energy: -34.331
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -17.036
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: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -405.867018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.867018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.867018 (E_RNA)
where:
Base-Base interactions energy: -263.191
where: short stacking energy: -133.805
Base-Backbone interact. energy: -0.240
local terms energy: -142.436291
where:
bonds (distance) C4'-P energy: -37.078
bonds (distance) P-C4' energy: -33.487
flat angles C4'-P-C4' energy: -29.483
flat angles P-C4'-P energy: -16.525
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: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -382.243747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.243747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.243747 (E_RNA)
where:
Base-Base interactions energy: -241.600
where: short stacking energy: -123.925
Base-Backbone interact. energy: -0.995
local terms energy: -139.648054
where:
bonds (distance) C4'-P energy: -29.550
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -19.243
tors. eta vs tors. theta energy: -31.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -333.506782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.506782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.506782 (E_RNA)
where:
Base-Base interactions energy: -205.440
where: short stacking energy: -88.609
Base-Backbone interact. energy: -0.547
local terms energy: -127.519525
where:
bonds (distance) C4'-P energy: -29.969
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -312.529226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.529226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.529226 (E_RNA)
where:
Base-Base interactions energy: -180.157
where: short stacking energy: -94.536
Base-Backbone interact. energy: -0.415
local terms energy: -131.957148
where:
bonds (distance) C4'-P energy: -28.159
bonds (distance) P-C4' energy: -33.583
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -16.341
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: 44
Temperature: 1.300000
Total energy: -304.491593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.491593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.491593 (E_RNA)
where:
Base-Base interactions energy: -181.733
where: short stacking energy: -92.006
Base-Backbone interact. energy: 0.415
local terms energy: -123.173481
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -237.681657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.681657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.681657 (E_RNA)
where:
Base-Base interactions energy: -133.191
where: short stacking energy: -84.050
Base-Backbone interact. energy: 3.153
local terms energy: -107.643336
where:
bonds (distance) C4'-P energy: -24.012
bonds (distance) P-C4' energy: -28.601
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -552.964413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.964413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.964413 (E_RNA)
where:
Base-Base interactions energy: -374.780
where: short stacking energy: -183.741
Base-Backbone interact. energy: -0.283
local terms energy: -177.902140
where:
bonds (distance) C4'-P energy: -33.794
bonds (distance) P-C4' energy: -34.425
flat angles C4'-P-C4' energy: -40.030
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -48.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -559.514081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.514081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.514081 (E_RNA)
where:
Base-Base interactions energy: -358.761
where: short stacking energy: -186.879
Base-Backbone interact. energy: 0.029
local terms energy: -200.782495
where:
bonds (distance) C4'-P energy: -37.412
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -34.056
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -56.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -483.593940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.593940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.593940 (E_RNA)
where:
Base-Base interactions energy: -317.245
where: short stacking energy: -157.598
Base-Backbone interact. energy: -1.728
local terms energy: -164.621357
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -27.708
flat angles C4'-P-C4' energy: -36.912
flat angles P-C4'-P energy: -28.236
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: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -493.065548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.065548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.065548 (E_RNA)
where:
Base-Base interactions energy: -325.011
where: short stacking energy: -151.150
Base-Backbone interact. energy: -0.343
local terms energy: -167.711079
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -40.323
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -41.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -400.545708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.545708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.545708 (E_RNA)
where:
Base-Base interactions energy: -245.985
where: short stacking energy: -123.433
Base-Backbone interact. energy: -0.332
local terms energy: -154.228710
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -33.923
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -357.582538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.582538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.582538 (E_RNA)
where:
Base-Base interactions energy: -210.635
where: short stacking energy: -111.338
Base-Backbone interact. energy: 1.384
local terms energy: -148.331083
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -34.075
flat angles P-C4'-P energy: -21.867
tors. eta vs tors. theta energy: -29.309
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: 45
Temperature: 1.200000
Total energy: -359.573859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.573859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.573859 (E_RNA)
where:
Base-Base interactions energy: -226.841
where: short stacking energy: -115.990
Base-Backbone interact. energy: 0.606
local terms energy: -133.339161
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -33.859
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -29.717
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: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -314.303293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.303293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.303293 (E_RNA)
where:
Base-Base interactions energy: -179.853
where: short stacking energy: -87.824
Base-Backbone interact. energy: 1.043
local terms energy: -135.492928
where:
bonds (distance) C4'-P energy: -30.398
bonds (distance) P-C4' energy: -35.951
flat angles C4'-P-C4' energy: -30.931
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -302.129153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.129153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.129153 (E_RNA)
where:
Base-Base interactions energy: -170.759
where: short stacking energy: -84.052
Base-Backbone interact. energy: 0.951
local terms energy: -132.320787
where:
bonds (distance) C4'-P energy: -25.551
bonds (distance) P-C4' energy: -35.966
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -27.815
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -215.744569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.744569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.744569 (E_RNA)
where:
Base-Base interactions energy: -114.075
where: short stacking energy: -75.676
Base-Backbone interact. energy: 0.211
local terms energy: -101.880555
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -9.791
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: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -560.218496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.218496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.218496 (E_RNA)
where:
Base-Base interactions energy: -356.701
where: short stacking energy: -180.481
Base-Backbone interact. energy: -0.827
local terms energy: -202.689705
where:
bonds (distance) C4'-P energy: -42.305
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -43.477
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: -53.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -525.082762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.082762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.082762 (E_RNA)
where:
Base-Base interactions energy: -358.255
where: short stacking energy: -172.395
Base-Backbone interact. energy: -0.105
local terms energy: -166.723087
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -40.847
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -45.954
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: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -505.213905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.213905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.213905 (E_RNA)
where:
Base-Base interactions energy: -334.081
where: short stacking energy: -168.352
Base-Backbone interact. energy: -0.486
local terms energy: -170.647749
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: -40.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -440.895294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.895294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.895294 (E_RNA)
where:
Base-Base interactions energy: -270.548
where: short stacking energy: -124.386
Base-Backbone interact. energy: 0.375
local terms energy: -170.722743
where:
bonds (distance) C4'-P energy: -37.540
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -34.269
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -38.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -417.688033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.688033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.688033 (E_RNA)
where:
Base-Base interactions energy: -251.419
where: short stacking energy: -137.346
Base-Backbone interact. energy: 0.926
local terms energy: -167.194516
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -32.315
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -40.470
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: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -369.742705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.742705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.742705 (E_RNA)
where:
Base-Base interactions energy: -228.156
where: short stacking energy: -122.469
Base-Backbone interact. energy: -0.139
local terms energy: -141.447503
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -36.551
flat angles C4'-P-C4' energy: -31.696
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -363.998703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.998703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.998703 (E_RNA)
where:
Base-Base interactions energy: -216.071
where: short stacking energy: -101.718
Base-Backbone interact. energy: 0.814
local terms energy: -148.741001
where:
bonds (distance) C4'-P energy: -31.905
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -40.697
flat angles P-C4'-P energy: -26.395
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: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -312.376042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.376042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.376042 (E_RNA)
where:
Base-Base interactions energy: -194.032
where: short stacking energy: -88.805
Base-Backbone interact. energy: -0.167
local terms energy: -118.176659
where:
bonds (distance) C4'-P energy: -34.286
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -27.749
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -219.465870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.465870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.465870 (E_RNA)
where:
Base-Base interactions energy: -101.526
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.247
local terms energy: -117.692858
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -25.239
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -5.022
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: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -292.659848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.659848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.659848 (E_RNA)
where:
Base-Base interactions energy: -173.986
where: short stacking energy: -78.101
Base-Backbone interact. energy: 0.274
local terms energy: -118.948455
where:
bonds (distance) C4'-P energy: -24.722
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -552.254722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.254722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.254722 (E_RNA)
where:
Base-Base interactions energy: -360.140
where: short stacking energy: -187.542
Base-Backbone interact. energy: -0.302
local terms energy: -191.812663
where:
bonds (distance) C4'-P energy: -37.744
bonds (distance) P-C4' energy: -35.618
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -26.050
tors. eta vs tors. theta energy: -55.864
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: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -527.897451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.897451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.897451 (E_RNA)
where:
Base-Base interactions energy: -346.043
where: short stacking energy: -170.332
Base-Backbone interact. energy: -0.625
local terms energy: -181.229173
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -37.719
flat angles C4'-P-C4' energy: -41.121
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -46.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -496.261697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.261697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.261697 (E_RNA)
where:
Base-Base interactions energy: -325.218
where: short stacking energy: -171.016
Base-Backbone interact. energy: 0.988
local terms energy: -172.031400
where:
bonds (distance) C4'-P energy: -30.615
bonds (distance) P-C4' energy: -36.794
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -25.520
tors. eta vs tors. theta energy: -47.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -462.922321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.922321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.922321 (E_RNA)
where:
Base-Base interactions energy: -297.096
where: short stacking energy: -135.081
Base-Backbone interact. energy: -1.000
local terms energy: -164.825868
where:
bonds (distance) C4'-P energy: -33.925
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -38.023
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: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -441.336968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.336968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.336968 (E_RNA)
where:
Base-Base interactions energy: -293.695
where: short stacking energy: -144.525
Base-Backbone interact. energy: -0.831
local terms energy: -146.810041
where:
bonds (distance) C4'-P energy: -25.461
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -42.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -370.415631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.415631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.415631 (E_RNA)
where:
Base-Base interactions energy: -216.522
where: short stacking energy: -109.272
Base-Backbone interact. energy: -0.390
local terms energy: -153.503970
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -381.052345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.052345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.052345 (E_RNA)
where:
Base-Base interactions energy: -246.743
where: short stacking energy: -112.962
Base-Backbone interact. energy: 0.659
local terms energy: -134.968490
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -33.368
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -25.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -310.166922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.166922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.166922 (E_RNA)
where:
Base-Base interactions energy: -186.604
where: short stacking energy: -87.559
Base-Backbone interact. energy: -0.326
local terms energy: -123.237238
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -224.040702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.040702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.040702 (E_RNA)
where:
Base-Base interactions energy: -115.073
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.208
local terms energy: -108.760015
where:
bonds (distance) C4'-P energy: -31.494
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -301.114593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.114593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.114593 (E_RNA)
where:
Base-Base interactions energy: -188.110
where: short stacking energy: -86.599
Base-Backbone interact. energy: -0.386
local terms energy: -112.618790
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -28.297
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -545.624314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.624314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.624314 (E_RNA)
where:
Base-Base interactions energy: -363.041
where: short stacking energy: -166.993
Base-Backbone interact. energy: -0.712
local terms energy: -181.871181
where:
bonds (distance) C4'-P energy: -33.086
bonds (distance) P-C4' energy: -32.404
flat angles C4'-P-C4' energy: -37.540
flat angles P-C4'-P energy: -29.841
tors. eta vs tors. theta energy: -49.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -538.877586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.877586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.877586 (E_RNA)
where:
Base-Base interactions energy: -359.677
where: short stacking energy: -180.437
Base-Backbone interact. energy: -0.119
local terms energy: -179.080936
where:
bonds (distance) C4'-P energy: -28.580
bonds (distance) P-C4' energy: -35.593
flat angles C4'-P-C4' energy: -41.361
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -54.654
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: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -478.095558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.095558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.095558 (E_RNA)
where:
Base-Base interactions energy: -315.073
where: short stacking energy: -151.711
Base-Backbone interact. energy: -0.378
local terms energy: -162.644490
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -27.544
flat angles C4'-P-C4' energy: -39.600
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -43.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -470.961944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.961944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.961944 (E_RNA)
where:
Base-Base interactions energy: -308.628
where: short stacking energy: -152.937
Base-Backbone interact. energy: 0.835
local terms energy: -163.169630
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -40.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -428.243357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.243357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.243357 (E_RNA)
where:
Base-Base interactions energy: -292.671
where: short stacking energy: -129.117
Base-Backbone interact. energy: 0.402
local terms energy: -135.974467
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -32.091
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -25.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -374.358729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.358729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.358729 (E_RNA)
where:
Base-Base interactions energy: -241.589
where: short stacking energy: -118.492
Base-Backbone interact. energy: -1.377
local terms energy: -131.392722
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -27.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -369.759534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.759534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.759534 (E_RNA)
where:
Base-Base interactions energy: -224.468
where: short stacking energy: -115.218
Base-Backbone interact. energy: -0.181
local terms energy: -145.110410
where:
bonds (distance) C4'-P energy: -31.592
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -34.444
flat angles P-C4'-P energy: -25.094
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -317.604358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.604358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.604358 (E_RNA)
where:
Base-Base interactions energy: -196.065
where: short stacking energy: -100.545
Base-Backbone interact. energy: 1.580
local terms energy: -123.119316
where:
bonds (distance) C4'-P energy: -32.073
bonds (distance) P-C4' energy: -32.991
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -307.661405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.661405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.661405 (E_RNA)
where:
Base-Base interactions energy: -183.045
where: short stacking energy: -91.286
Base-Backbone interact. energy: -0.641
local terms energy: -123.975322
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -29.119
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -210.048573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.048573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.048573 (E_RNA)
where:
Base-Base interactions energy: -90.744
where: short stacking energy: -54.503
Base-Backbone interact. energy: -0.370
local terms energy: -118.934488
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -35.993
flat angles C4'-P-C4' energy: -32.033
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -558.728525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.728525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.728525 (E_RNA)
where:
Base-Base interactions energy: -374.239
where: short stacking energy: -177.657
Base-Backbone interact. energy: -0.051
local terms energy: -184.438375
where:
bonds (distance) C4'-P energy: -30.295
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -39.481
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -48.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -537.349553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.349553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.349553 (E_RNA)
where:
Base-Base interactions energy: -349.406
where: short stacking energy: -171.169
Base-Backbone interact. energy: -0.217
local terms energy: -187.725770
where:
bonds (distance) C4'-P energy: -32.652
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -41.438
flat angles P-C4'-P energy: -31.593
tors. eta vs tors. theta energy: -45.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -487.685384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.685384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.685384 (E_RNA)
where:
Base-Base interactions energy: -315.309
where: short stacking energy: -146.602
Base-Backbone interact. energy: -0.026
local terms energy: -172.350956
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -37.208
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -41.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -481.646587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.646587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.646587 (E_RNA)
where:
Base-Base interactions energy: -310.262
where: short stacking energy: -145.861
Base-Backbone interact. energy: -0.270
local terms energy: -171.115189
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -40.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -446.933551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.933551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.933551 (E_RNA)
where:
Base-Base interactions energy: -295.202
where: short stacking energy: -140.441
Base-Backbone interact. energy: -0.590
local terms energy: -151.141386
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -30.451
flat angles C4'-P-C4' energy: -31.505
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -32.825
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: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -381.768695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.768695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.768695 (E_RNA)
where:
Base-Base interactions energy: -243.789
where: short stacking energy: -105.829
Base-Backbone interact. energy: -0.521
local terms energy: -137.458426
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -32.481
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: -15.399
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: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -342.415082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.415082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.415082 (E_RNA)
where:
Base-Base interactions energy: -195.270
where: short stacking energy: -109.498
Base-Backbone interact. energy: 0.625
local terms energy: -147.769276
where:
bonds (distance) C4'-P energy: -29.720
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -23.664
tors. eta vs tors. theta energy: -25.988
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: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -308.734178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.734178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.734178 (E_RNA)
where:
Base-Base interactions energy: -203.067
where: short stacking energy: -81.474
Base-Backbone interact. energy: -0.838
local terms energy: -104.829677
where:
bonds (distance) C4'-P energy: -28.273
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -33.350
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -304.512621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.512621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.512621 (E_RNA)
where:
Base-Base interactions energy: -183.917
where: short stacking energy: -96.314
Base-Backbone interact. energy: -0.301
local terms energy: -120.293873
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -30.187
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -18.700
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -223.067681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.067681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.067681 (E_RNA)
where:
Base-Base interactions energy: -108.786
where: short stacking energy: -66.996
Base-Backbone interact. energy: 1.211
local terms energy: -115.492546
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -37.032
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -553.728754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.728754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.728754 (E_RNA)
where:
Base-Base interactions energy: -359.605
where: short stacking energy: -183.950
Base-Backbone interact. energy: -0.115
local terms energy: -194.008906
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -37.709
flat angles C4'-P-C4' energy: -41.759
flat angles P-C4'-P energy: -27.208
tors. eta vs tors. theta energy: -55.203
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: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -540.674336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.674336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.674336 (E_RNA)
where:
Base-Base interactions energy: -363.784
where: short stacking energy: -169.021
Base-Backbone interact. energy: -0.057
local terms energy: -176.833497
where:
bonds (distance) C4'-P energy: -30.876
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -38.513
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -49.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -473.070910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.070910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.070910 (E_RNA)
where:
Base-Base interactions energy: -303.963
where: short stacking energy: -142.796
Base-Backbone interact. energy: -1.163
local terms energy: -167.945047
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -40.864
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -26.024
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: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -476.526398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.526398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.526398 (E_RNA)
where:
Base-Base interactions energy: -294.659
where: short stacking energy: -144.210
Base-Backbone interact. energy: -0.044
local terms energy: -181.823888
where:
bonds (distance) C4'-P energy: -32.921
bonds (distance) P-C4' energy: -36.092
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -30.343
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: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -443.405989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.405989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.405989 (E_RNA)
where:
Base-Base interactions energy: -299.523
where: short stacking energy: -145.277
Base-Backbone interact. energy: 0.657
local terms energy: -144.540679
where:
bonds (distance) C4'-P energy: -32.082
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -35.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -374.205386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.205386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.205386 (E_RNA)
where:
Base-Base interactions energy: -246.039
where: short stacking energy: -101.814
Base-Backbone interact. energy: -1.731
local terms energy: -126.435480
where:
bonds (distance) C4'-P energy: -32.143
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -22.303
tors. eta vs tors. theta energy: -20.202
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: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -346.437478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.437478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.437478 (E_RNA)
where:
Base-Base interactions energy: -225.803
where: short stacking energy: -119.197
Base-Backbone interact. energy: 0.349
local terms energy: -120.983391
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -30.664
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -327.325406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.325406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.325406 (E_RNA)
where:
Base-Base interactions energy: -207.344
where: short stacking energy: -102.284
Base-Backbone interact. energy: -0.439
local terms energy: -119.542099
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -312.605117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.605117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.605117 (E_RNA)
where:
Base-Base interactions energy: -185.511
where: short stacking energy: -89.080
Base-Backbone interact. energy: -0.332
local terms energy: -126.761793
where:
bonds (distance) C4'-P energy: -30.896
bonds (distance) P-C4' energy: -29.776
flat angles C4'-P-C4' energy: -27.242
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -19.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -249.113461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.113461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.113461 (E_RNA)
where:
Base-Base interactions energy: -142.049
where: short stacking energy: -79.598
Base-Backbone interact. energy: -0.158
local terms energy: -106.907062
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -30.715
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -548.910535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.910535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.910535 (E_RNA)
where:
Base-Base interactions energy: -373.722
where: short stacking energy: -188.350
Base-Backbone interact. energy: -0.247
local terms energy: -174.941437
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -33.126
flat angles C4'-P-C4' energy: -42.548
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -541.512667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.512667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.512667 (E_RNA)
where:
Base-Base interactions energy: -362.689
where: short stacking energy: -162.207
Base-Backbone interact. energy: -0.086
local terms energy: -178.737373
where:
bonds (distance) C4'-P energy: -31.187
bonds (distance) P-C4' energy: -34.497
flat angles C4'-P-C4' energy: -38.192
flat angles P-C4'-P energy: -30.849
tors. eta vs tors. theta energy: -44.012
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: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -491.381729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.381729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.381729 (E_RNA)
where:
Base-Base interactions energy: -311.809
where: short stacking energy: -158.610
Base-Backbone interact. energy: -0.739
local terms energy: -178.833516
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -33.499
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -28.522
tors. eta vs tors. theta energy: -44.298
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: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -483.437377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.437377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.437377 (E_RNA)
where:
Base-Base interactions energy: -312.717
where: short stacking energy: -165.540
Base-Backbone interact. energy: -0.112
local terms energy: -170.608192
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -27.303
tors. eta vs tors. theta energy: -44.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -433.355749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.355749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.355749 (E_RNA)
where:
Base-Base interactions energy: -287.328
where: short stacking energy: -137.482
Base-Backbone interact. energy: -0.844
local terms energy: -145.183926
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -29.282
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -34.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -358.626696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.626696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.626696 (E_RNA)
where:
Base-Base interactions energy: -224.884
where: short stacking energy: -129.874
Base-Backbone interact. energy: 1.997
local terms energy: -135.739041
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -33.190
flat angles C4'-P-C4' energy: -27.562
flat angles P-C4'-P energy: -20.740
tors. eta vs tors. theta energy: -29.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -350.811640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.811640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.811640 (E_RNA)
where:
Base-Base interactions energy: -216.039
where: short stacking energy: -117.061
Base-Backbone interact. energy: -0.819
local terms energy: -133.953952
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -33.538
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -23.327
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: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -317.835114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.835114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.835114 (E_RNA)
where:
Base-Base interactions energy: -190.779
where: short stacking energy: -87.443
Base-Backbone interact. energy: -0.862
local terms energy: -126.194117
where:
bonds (distance) C4'-P energy: -33.605
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -22.327
tors. eta vs tors. theta energy: -12.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -312.481752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.481752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.481752 (E_RNA)
where:
Base-Base interactions energy: -179.162
where: short stacking energy: -94.671
Base-Backbone interact. energy: -0.475
local terms energy: -132.845191
where:
bonds (distance) C4'-P energy: -30.726
bonds (distance) P-C4' energy: -35.416
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -23.812
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: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -221.026041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.026041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.026041 (E_RNA)
where:
Base-Base interactions energy: -118.676
where: short stacking energy: -76.041
Base-Backbone interact. energy: -0.406
local terms energy: -101.943533
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -24.253
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -550.162426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.162426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.162426 (E_RNA)
where:
Base-Base interactions energy: -365.939
where: short stacking energy: -187.939
Base-Backbone interact. energy: -0.120
local terms energy: -184.103118
where:
bonds (distance) C4'-P energy: -35.343
bonds (distance) P-C4' energy: -35.132
flat angles C4'-P-C4' energy: -38.964
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -52.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -522.393656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.393656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.393656 (E_RNA)
where:
Base-Base interactions energy: -349.135
where: short stacking energy: -163.300
Base-Backbone interact. energy: 0.811
local terms energy: -174.069408
where:
bonds (distance) C4'-P energy: -25.179
bonds (distance) P-C4' energy: -42.565
flat angles C4'-P-C4' energy: -38.328
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: -43.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -502.100805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.100805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.100805 (E_RNA)
where:
Base-Base interactions energy: -330.723
where: short stacking energy: -171.292
Base-Backbone interact. energy: -0.252
local terms energy: -171.126089
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -45.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -464.528239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.528239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.528239 (E_RNA)
where:
Base-Base interactions energy: -300.012
where: short stacking energy: -148.201
Base-Backbone interact. energy: -0.071
local terms energy: -164.446013
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -33.024
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -27.271
tors. eta vs tors. theta energy: -35.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -439.438539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.438539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.438539 (E_RNA)
where:
Base-Base interactions energy: -279.447
where: short stacking energy: -132.304
Base-Backbone interact. energy: -0.413
local terms energy: -159.578131
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -33.251
flat angles C4'-P-C4' energy: -36.744
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -31.195
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: 52
Temperature: 1.150000
Total energy: -339.228586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.228586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.228586 (E_RNA)
where:
Base-Base interactions energy: -194.920
where: short stacking energy: -84.748
Base-Backbone interact. energy: -0.824
local terms energy: -143.485349
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -36.268
flat angles C4'-P-C4' energy: -36.393
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -21.479
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: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -343.992668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.992668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.992668 (E_RNA)
where:
Base-Base interactions energy: -211.781
where: short stacking energy: -105.251
Base-Backbone interact. energy: -0.264
local terms energy: -131.947558
where:
bonds (distance) C4'-P energy: -33.363
bonds (distance) P-C4' energy: -29.331
flat angles C4'-P-C4' energy: -27.785
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -25.905
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: 52
Temperature: 1.250000
Total energy: -319.941880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.941880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.941880 (E_RNA)
where:
Base-Base interactions energy: -210.681
where: short stacking energy: -89.856
Base-Backbone interact. energy: 1.370
local terms energy: -110.630403
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -22.408
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -232.220696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.220696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.220696 (E_RNA)
where:
Base-Base interactions energy: -124.704
where: short stacking energy: -80.969
Base-Backbone interact. energy: 1.005
local terms energy: -108.520848
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -33.814
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -12.033
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: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -304.260317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.260317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.260317 (E_RNA)
where:
Base-Base interactions energy: -188.255
where: short stacking energy: -97.983
Base-Backbone interact. energy: -0.941
local terms energy: -115.064340
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -24.927
flat angles P-C4'-P energy: -13.818
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: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -551.657974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.657974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.657974 (E_RNA)
where:
Base-Base interactions energy: -369.453
where: short stacking energy: -185.056
Base-Backbone interact. energy: 0.239
local terms energy: -182.443928
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -35.283
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -51.984
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: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -541.069944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.069944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.069944 (E_RNA)
where:
Base-Base interactions energy: -365.849
where: short stacking energy: -175.425
Base-Backbone interact. energy: -1.321
local terms energy: -173.900747
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -34.430
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -49.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -488.678666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.678666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.678666 (E_RNA)
where:
Base-Base interactions energy: -314.306
where: short stacking energy: -156.979
Base-Backbone interact. energy: -0.753
local terms energy: -173.619085
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -33.829
flat angles C4'-P-C4' energy: -39.292
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -44.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -471.155670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.155670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.155670 (E_RNA)
where:
Base-Base interactions energy: -312.217
where: short stacking energy: -145.353
Base-Backbone interact. energy: -0.658
local terms energy: -158.280382
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -25.191
tors. eta vs tors. theta energy: -38.273
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: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -433.856843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.856843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.856843 (E_RNA)
where:
Base-Base interactions energy: -289.838
where: short stacking energy: -132.599
Base-Backbone interact. energy: -0.099
local terms energy: -143.920050
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -37.445
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -33.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -343.334906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.334906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.334906 (E_RNA)
where:
Base-Base interactions energy: -208.902
where: short stacking energy: -114.058
Base-Backbone interact. energy: -0.836
local terms energy: -133.597280
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -24.238
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: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -346.565721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.565721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.565721 (E_RNA)
where:
Base-Base interactions energy: -210.032
where: short stacking energy: -107.950
Base-Backbone interact. energy: -1.938
local terms energy: -134.595468
where:
bonds (distance) C4'-P energy: -29.403
bonds (distance) P-C4' energy: -35.810
flat angles C4'-P-C4' energy: -27.130
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -18.283
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: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -318.169559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.169559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.169559 (E_RNA)
where:
Base-Base interactions energy: -194.783
where: short stacking energy: -106.293
Base-Backbone interact. energy: -0.917
local terms energy: -122.469556
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -29.300
flat angles C4'-P-C4' energy: -29.139
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -220.994122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.994122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.994122 (E_RNA)
where:
Base-Base interactions energy: -104.164
where: short stacking energy: -65.685
Base-Backbone interact. energy: 0.318
local terms energy: -117.148331
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -28.758
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -284.626552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.626552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.626552 (E_RNA)
where:
Base-Base interactions energy: -184.630
where: short stacking energy: -93.828
Base-Backbone interact. energy: -0.397
local terms energy: -99.600281
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -542.366132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.366132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.366132 (E_RNA)
where:
Base-Base interactions energy: -358.641
where: short stacking energy: -167.567
Base-Backbone interact. energy: -0.734
local terms energy: -182.991834
where:
bonds (distance) C4'-P energy: -35.512
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -26.892
tors. eta vs tors. theta energy: -44.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -543.060370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.060370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.060370 (E_RNA)
where:
Base-Base interactions energy: -357.703
where: short stacking energy: -185.105
Base-Backbone interact. energy: -0.003
local terms energy: -185.353958
where:
bonds (distance) C4'-P energy: -32.608
bonds (distance) P-C4' energy: -34.711
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: -52.183
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: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -476.683530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.683530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.683530 (E_RNA)
where:
Base-Base interactions energy: -319.097
where: short stacking energy: -158.292
Base-Backbone interact. energy: 0.099
local terms energy: -157.685618
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -32.040
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -20.028
tors. eta vs tors. theta energy: -39.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -473.100788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.100788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.100788 (E_RNA)
where:
Base-Base interactions energy: -312.841
where: short stacking energy: -161.342
Base-Backbone interact. energy: -0.379
local terms energy: -159.880662
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -39.407
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: -39.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -412.924762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.924762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.924762 (E_RNA)
where:
Base-Base interactions energy: -266.770
where: short stacking energy: -129.539
Base-Backbone interact. energy: -0.968
local terms energy: -145.187223
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -33.273
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -27.566
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: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -339.135976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.135976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.135976 (E_RNA)
where:
Base-Base interactions energy: -196.740
where: short stacking energy: -100.695
Base-Backbone interact. energy: -0.620
local terms energy: -141.776142
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -39.976
flat angles C4'-P-C4' energy: -35.133
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -19.076
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: 54
Temperature: 1.200000
Total energy: -372.033527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.033527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.033527 (E_RNA)
where:
Base-Base interactions energy: -223.016
where: short stacking energy: -122.660
Base-Backbone interact. energy: -0.547
local terms energy: -148.470550
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -35.303
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -21.330
tors. eta vs tors. theta energy: -26.264
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: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -314.436854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.436854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.436854 (E_RNA)
where:
Base-Base interactions energy: -186.681
where: short stacking energy: -91.202
Base-Backbone interact. energy: 0.396
local terms energy: -128.151981
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -34.636
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -24.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -298.002046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.002046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.002046 (E_RNA)
where:
Base-Base interactions energy: -182.912
where: short stacking energy: -92.080
Base-Backbone interact. energy: -0.325
local terms energy: -114.765049
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -29.203
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -220.719764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.719764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.719764 (E_RNA)
where:
Base-Base interactions energy: -123.347
where: short stacking energy: -61.627
Base-Backbone interact. energy: 0.683
local terms energy: -98.055724
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -544.247078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.247078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.247078 (E_RNA)
where:
Base-Base interactions energy: -363.097
where: short stacking energy: -190.584
Base-Backbone interact. energy: -0.460
local terms energy: -180.689669
where:
bonds (distance) C4'-P energy: -34.552
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -42.030
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -51.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -538.568982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.568982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.568982 (E_RNA)
where:
Base-Base interactions energy: -364.283
where: short stacking energy: -171.135
Base-Backbone interact. energy: -2.191
local terms energy: -172.095058
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -29.482
flat angles P-C4'-P energy: -29.215
tors. eta vs tors. theta energy: -53.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -483.573071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.573071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.573071 (E_RNA)
where:
Base-Base interactions energy: -315.392
where: short stacking energy: -158.273
Base-Backbone interact. energy: -1.441
local terms energy: -166.739502
where:
bonds (distance) C4'-P energy: -34.444
bonds (distance) P-C4' energy: -28.203
flat angles C4'-P-C4' energy: -35.255
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -44.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -463.467982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.467982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.467982 (E_RNA)
where:
Base-Base interactions energy: -300.730
where: short stacking energy: -146.129
Base-Backbone interact. energy: -0.647
local terms energy: -162.091262
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -31.317
flat angles C4'-P-C4' energy: -39.685
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -35.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -431.505581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.505581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.505581 (E_RNA)
where:
Base-Base interactions energy: -295.365
where: short stacking energy: -133.714
Base-Backbone interact. energy: -0.620
local terms energy: -135.520227
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -34.481
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -365.650123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.650123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.650123 (E_RNA)
where:
Base-Base interactions energy: -231.865
where: short stacking energy: -126.239
Base-Backbone interact. energy: -0.713
local terms energy: -133.072447
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -376.458712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.458712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.458712 (E_RNA)
where:
Base-Base interactions energy: -245.858
where: short stacking energy: -113.035
Base-Backbone interact. energy: -1.024
local terms energy: -129.577392
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -36.138
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -326.018843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.018843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.018843 (E_RNA)
where:
Base-Base interactions energy: -199.834
where: short stacking energy: -83.647
Base-Backbone interact. energy: -0.115
local terms energy: -126.069927
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -297.315780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.315780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.315780 (E_RNA)
where:
Base-Base interactions energy: -169.117
where: short stacking energy: -84.042
Base-Backbone interact. energy: -0.177
local terms energy: -128.021820
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -251.208350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.208350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.208350 (E_RNA)
where:
Base-Base interactions energy: -136.395
where: short stacking energy: -72.648
Base-Backbone interact. energy: -0.157
local terms energy: -114.656582
where:
bonds (distance) C4'-P energy: -21.940
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -30.503
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -15.148
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: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -535.723806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.723806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.723806 (E_RNA)
where:
Base-Base interactions energy: -350.602
where: short stacking energy: -166.354
Base-Backbone interact. energy: -0.628
local terms energy: -184.494332
where:
bonds (distance) C4'-P energy: -38.635
bonds (distance) P-C4' energy: -31.344
flat angles C4'-P-C4' energy: -35.278
flat angles P-C4'-P energy: -24.201
tors. eta vs tors. theta energy: -55.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -519.550002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.550002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.550002 (E_RNA)
where:
Base-Base interactions energy: -338.556
where: short stacking energy: -166.306
Base-Backbone interact. energy: -0.135
local terms energy: -180.859519
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -41.904
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -49.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -473.752317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.752317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.752317 (E_RNA)
where:
Base-Base interactions energy: -304.418
where: short stacking energy: -149.461
Base-Backbone interact. energy: -0.142
local terms energy: -169.192420
where:
bonds (distance) C4'-P energy: -31.842
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -41.182
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -40.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -472.940641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.940641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.940641 (E_RNA)
where:
Base-Base interactions energy: -298.735
where: short stacking energy: -151.813
Base-Backbone interact. energy: -0.137
local terms energy: -174.069130
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -36.294
flat angles P-C4'-P energy: -30.172
tors. eta vs tors. theta energy: -40.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -431.334446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.334446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.334446 (E_RNA)
where:
Base-Base interactions energy: -282.679
where: short stacking energy: -131.215
Base-Backbone interact. energy: -0.783
local terms energy: -147.872555
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -36.575
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -27.745
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: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -367.945818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.945818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.945818 (E_RNA)
where:
Base-Base interactions energy: -224.657
where: short stacking energy: -117.873
Base-Backbone interact. energy: -0.134
local terms energy: -143.155219
where:
bonds (distance) C4'-P energy: -31.380
bonds (distance) P-C4' energy: -37.083
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -344.149692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.149692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.149692 (E_RNA)
where:
Base-Base interactions energy: -217.338
where: short stacking energy: -108.225
Base-Backbone interact. energy: -1.076
local terms energy: -125.735345
where:
bonds (distance) C4'-P energy: -23.864
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -19.809
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: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -357.755492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.755492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.755492 (E_RNA)
where:
Base-Base interactions energy: -224.521
where: short stacking energy: -94.342
Base-Backbone interact. energy: 2.013
local terms energy: -135.247904
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -34.580
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -303.093355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.093355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.093355 (E_RNA)
where:
Base-Base interactions energy: -194.207
where: short stacking energy: -76.070
Base-Backbone interact. energy: 1.273
local terms energy: -110.160001
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -36.103
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -214.303516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.303516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.303516 (E_RNA)
where:
Base-Base interactions energy: -121.968
where: short stacking energy: -70.389
Base-Backbone interact. energy: 4.993
local terms energy: -97.328748
where:
bonds (distance) C4'-P energy: -26.313
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -1.133
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: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -543.988075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.988075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.988075 (E_RNA)
where:
Base-Base interactions energy: -360.551
where: short stacking energy: -176.573
Base-Backbone interact. energy: -0.456
local terms energy: -182.981822
where:
bonds (distance) C4'-P energy: -32.004
bonds (distance) P-C4' energy: -34.868
flat angles C4'-P-C4' energy: -40.037
flat angles P-C4'-P energy: -23.818
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: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -504.894625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.894625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.894625 (E_RNA)
where:
Base-Base interactions energy: -317.032
where: short stacking energy: -164.305
Base-Backbone interact. energy: -0.139
local terms energy: -187.723888
where:
bonds (distance) C4'-P energy: -39.691
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -40.935
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -44.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -515.680236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.680236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.680236 (E_RNA)
where:
Base-Base interactions energy: -345.482
where: short stacking energy: -156.385
Base-Backbone interact. energy: -0.768
local terms energy: -169.430750
where:
bonds (distance) C4'-P energy: -34.395
bonds (distance) P-C4' energy: -31.657
flat angles C4'-P-C4' energy: -35.561
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -43.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -432.275672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.275672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.275672 (E_RNA)
where:
Base-Base interactions energy: -263.166
where: short stacking energy: -134.730
Base-Backbone interact. energy: -0.591
local terms energy: -168.518488
where:
bonds (distance) C4'-P energy: -35.106
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -34.082
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -40.093
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: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -422.336075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.336075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.336075 (E_RNA)
where:
Base-Base interactions energy: -282.686
where: short stacking energy: -132.685
Base-Backbone interact. energy: -1.155
local terms energy: -138.494462
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -35.873
flat angles C4'-P-C4' energy: -29.702
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -29.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -359.564519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.564519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.564519 (E_RNA)
where:
Base-Base interactions energy: -236.964
where: short stacking energy: -119.450
Base-Backbone interact. energy: 1.612
local terms energy: -124.212593
where:
bonds (distance) C4'-P energy: -25.195
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -28.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -361.584346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.584346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.584346 (E_RNA)
where:
Base-Base interactions energy: -213.134
where: short stacking energy: -114.195
Base-Backbone interact. energy: -0.540
local terms energy: -147.910372
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -36.611
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -26.757
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: 57
Temperature: 1.250000
Total energy: -354.332234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.332234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.332234 (E_RNA)
where:
Base-Base interactions energy: -222.018
where: short stacking energy: -93.093
Base-Backbone interact. energy: -0.951
local terms energy: -131.362428
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -38.893
flat angles C4'-P-C4' energy: -32.707
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -20.549
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: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -297.230054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.230054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.230054 (E_RNA)
where:
Base-Base interactions energy: -180.333
where: short stacking energy: -84.225
Base-Backbone interact. energy: -1.509
local terms energy: -115.387198
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -28.022
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -285.469098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.469098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.469098 (E_RNA)
where:
Base-Base interactions energy: -162.399
where: short stacking energy: -69.913
Base-Backbone interact. energy: 1.090
local terms energy: -124.160428
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -39.051
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -9.564
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: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -550.467829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.467829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.467829 (E_RNA)
where:
Base-Base interactions energy: -360.520
where: short stacking energy: -186.641
Base-Backbone interact. energy: -0.783
local terms energy: -189.164395
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -57.216
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: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -505.541796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.541796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.541796 (E_RNA)
where:
Base-Base interactions energy: -324.231
where: short stacking energy: -151.357
Base-Backbone interact. energy: -0.178
local terms energy: -181.132585
where:
bonds (distance) C4'-P energy: -38.247
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -36.033
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -47.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -494.891874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.891874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.891874 (E_RNA)
where:
Base-Base interactions energy: -333.914
where: short stacking energy: -163.279
Base-Backbone interact. energy: 1.563
local terms energy: -162.540676
where:
bonds (distance) C4'-P energy: -32.991
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -39.563
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -44.259
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: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -451.968807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.968807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.968807 (E_RNA)
where:
Base-Base interactions energy: -286.252
where: short stacking energy: -150.539
Base-Backbone interact. energy: -0.091
local terms energy: -165.625795
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -34.620
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -37.880
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: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -424.159888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.159888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.159888 (E_RNA)
where:
Base-Base interactions energy: -274.884
where: short stacking energy: -121.317
Base-Backbone interact. energy: -0.266
local terms energy: -149.009973
where:
bonds (distance) C4'-P energy: -30.844
bonds (distance) P-C4' energy: -30.841
flat angles C4'-P-C4' energy: -31.515
flat angles P-C4'-P energy: -24.679
tors. eta vs tors. theta energy: -31.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -387.738908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.738908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.738908 (E_RNA)
where:
Base-Base interactions energy: -238.296
where: short stacking energy: -125.461
Base-Backbone interact. energy: -0.082
local terms energy: -149.361772
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -34.739
flat angles C4'-P-C4' energy: -35.715
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -29.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -337.721323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.721323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.721323 (E_RNA)
where:
Base-Base interactions energy: -194.059
where: short stacking energy: -99.584
Base-Backbone interact. energy: -0.481
local terms energy: -143.180816
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -358.762513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.762513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.762513 (E_RNA)
where:
Base-Base interactions energy: -228.868
where: short stacking energy: -99.484
Base-Backbone interact. energy: -0.032
local terms energy: -129.862093
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -284.158276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.158276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.158276 (E_RNA)
where:
Base-Base interactions energy: -173.239
where: short stacking energy: -86.527
Base-Backbone interact. energy: 0.158
local terms energy: -111.077196
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -31.235
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -267.523458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.523458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.523458 (E_RNA)
where:
Base-Base interactions energy: -145.548
where: short stacking energy: -74.010
Base-Backbone interact. energy: 0.469
local terms energy: -122.444995
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -32.256
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -11.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -552.982151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.982151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.982151 (E_RNA)
where:
Base-Base interactions energy: -371.032
where: short stacking energy: -192.523
Base-Backbone interact. energy: -0.319
local terms energy: -181.631096
where:
bonds (distance) C4'-P energy: -32.096
bonds (distance) P-C4' energy: -32.511
flat angles C4'-P-C4' energy: -37.266
flat angles P-C4'-P energy: -26.944
tors. eta vs tors. theta energy: -52.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -498.229716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.229716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.229716 (E_RNA)
where:
Base-Base interactions energy: -335.126
where: short stacking energy: -176.151
Base-Backbone interact. energy: -2.862
local terms energy: -160.241591
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -49.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -483.315299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.315299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.315299 (E_RNA)
where:
Base-Base interactions energy: -311.864
where: short stacking energy: -150.920
Base-Backbone interact. energy: 1.892
local terms energy: -173.343670
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -41.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -465.777099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.777099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.777099 (E_RNA)
where:
Base-Base interactions energy: -313.177
where: short stacking energy: -138.543
Base-Backbone interact. energy: -0.977
local terms energy: -151.622975
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -36.720
flat angles C4'-P-C4' energy: -35.155
flat angles P-C4'-P energy: -18.768
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: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -428.469718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.469718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.469718 (E_RNA)
where:
Base-Base interactions energy: -263.377
where: short stacking energy: -142.553
Base-Backbone interact. energy: -0.379
local terms energy: -164.713406
where:
bonds (distance) C4'-P energy: -31.326
bonds (distance) P-C4' energy: -33.363
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -24.043
tors. eta vs tors. theta energy: -37.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -356.135948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.135948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.135948 (E_RNA)
where:
Base-Base interactions energy: -230.199
where: short stacking energy: -96.663
Base-Backbone interact. energy: -0.939
local terms energy: -124.998049
where:
bonds (distance) C4'-P energy: -32.775
bonds (distance) P-C4' energy: -32.826
flat angles C4'-P-C4' energy: -25.387
flat angles P-C4'-P energy: -15.768
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: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -303.230665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.230665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.230665 (E_RNA)
where:
Base-Base interactions energy: -170.171
where: short stacking energy: -85.968
Base-Backbone interact. energy: 1.347
local terms energy: -134.406499
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -35.922
flat angles C4'-P-C4' energy: -30.086
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -348.899006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.899006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.899006 (E_RNA)
where:
Base-Base interactions energy: -230.509
where: short stacking energy: -97.013
Base-Backbone interact. energy: -0.645
local terms energy: -117.744621
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -39.519
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -21.860
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -298.889653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.889653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.889653 (E_RNA)
where:
Base-Base interactions energy: -184.846
where: short stacking energy: -84.354
Base-Backbone interact. energy: -0.499
local terms energy: -113.544552
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -31.963
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -294.522030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.522030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.522030 (E_RNA)
where:
Base-Base interactions energy: -183.770
where: short stacking energy: -88.577
Base-Backbone interact. energy: 2.028
local terms energy: -112.779657
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -28.790
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -549.698697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.698697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.698697 (E_RNA)
where:
Base-Base interactions energy: -365.747
where: short stacking energy: -179.185
Base-Backbone interact. energy: -0.381
local terms energy: -183.571583
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -29.642
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -53.820
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: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -499.150296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.150296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.150296 (E_RNA)
where:
Base-Base interactions energy: -319.138
where: short stacking energy: -163.004
Base-Backbone interact. energy: -0.284
local terms energy: -179.727695
where:
bonds (distance) C4'-P energy: -33.227
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -31.230
tors. eta vs tors. theta energy: -41.613
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: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -501.400077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.400077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.400077 (E_RNA)
where:
Base-Base interactions energy: -331.189
where: short stacking energy: -173.493
Base-Backbone interact. energy: -0.653
local terms energy: -169.557823
where:
bonds (distance) C4'-P energy: -32.176
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -38.957
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -47.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -455.783751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.783751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.783751 (E_RNA)
where:
Base-Base interactions energy: -312.096
where: short stacking energy: -133.873
Base-Backbone interact. energy: -0.867
local terms energy: -142.821156
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -27.204
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: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -416.199853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.199853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.199853 (E_RNA)
where:
Base-Base interactions energy: -268.094
where: short stacking energy: -131.534
Base-Backbone interact. energy: -0.383
local terms energy: -147.722814
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -31.890
flat angles C4'-P-C4' energy: -35.835
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -29.475
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: 60
Temperature: 1.150000
Total energy: -341.762521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.762521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.762521 (E_RNA)
where:
Base-Base interactions energy: -207.971
where: short stacking energy: -101.552
Base-Backbone interact. energy: -0.306
local terms energy: -133.485711
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -323.279195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.279195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.279195 (E_RNA)
where:
Base-Base interactions energy: -194.091
where: short stacking energy: -95.280
Base-Backbone interact. energy: -0.680
local terms energy: -128.508284
where:
bonds (distance) C4'-P energy: -36.440
bonds (distance) P-C4' energy: -31.842
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -8.810
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: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -312.777356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.777356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.777356 (E_RNA)
where:
Base-Base interactions energy: -178.738
where: short stacking energy: -89.901
Base-Backbone interact. energy: -0.533
local terms energy: -133.507101
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -36.590
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -22.183
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -285.649808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.649808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.649808 (E_RNA)
where:
Base-Base interactions energy: -162.835
where: short stacking energy: -76.130
Base-Backbone interact. energy: -0.725
local terms energy: -122.089960
where:
bonds (distance) C4'-P energy: -36.729
bonds (distance) P-C4' energy: -34.096
flat angles C4'-P-C4' energy: -26.408
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -308.856687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.856687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.856687 (E_RNA)
where:
Base-Base interactions energy: -197.542
where: short stacking energy: -90.448
Base-Backbone interact. energy: -1.087
local terms energy: -110.227631
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -21.053
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: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -559.719729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.719729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.719729 (E_RNA)
where:
Base-Base interactions energy: -360.671
where: short stacking energy: -188.060
Base-Backbone interact. energy: -0.078
local terms energy: -198.971301
where:
bonds (distance) C4'-P energy: -41.185
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -42.163
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -56.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -509.670143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.670143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.670143 (E_RNA)
where:
Base-Base interactions energy: -339.026
where: short stacking energy: -167.686
Base-Backbone interact. energy: -0.187
local terms energy: -170.457153
where:
bonds (distance) C4'-P energy: -30.504
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -39.418
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -47.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -481.012890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.012890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.012890 (E_RNA)
where:
Base-Base interactions energy: -323.828
where: short stacking energy: -162.233
Base-Backbone interact. energy: 0.237
local terms energy: -157.421590
where:
bonds (distance) C4'-P energy: -31.830
bonds (distance) P-C4' energy: -35.119
flat angles C4'-P-C4' energy: -31.815
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -42.268
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: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -429.763922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.763922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.763922 (E_RNA)
where:
Base-Base interactions energy: -271.806
where: short stacking energy: -146.097
Base-Backbone interact. energy: 1.004
local terms energy: -158.962182
where:
bonds (distance) C4'-P energy: -37.152
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -34.281
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: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -417.124664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.124664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.124664 (E_RNA)
where:
Base-Base interactions energy: -278.990
where: short stacking energy: -131.577
Base-Backbone interact. energy: 2.810
local terms energy: -140.945256
where:
bonds (distance) C4'-P energy: -26.763
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -24.607
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: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -348.757076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.757076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.757076 (E_RNA)
where:
Base-Base interactions energy: -203.278
where: short stacking energy: -106.710
Base-Backbone interact. energy: 0.127
local terms energy: -145.606631
where:
bonds (distance) C4'-P energy: -33.840
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -39.087
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -23.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -339.048849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.048849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.048849 (E_RNA)
where:
Base-Base interactions energy: -208.698
where: short stacking energy: -101.316
Base-Backbone interact. energy: -0.694
local terms energy: -129.656644
where:
bonds (distance) C4'-P energy: -30.076
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -24.344
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: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -345.636788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.636788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.636788 (E_RNA)
where:
Base-Base interactions energy: -218.987
where: short stacking energy: -98.739
Base-Backbone interact. energy: 0.953
local terms energy: -127.602632
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -33.525
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -296.274259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.274259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.274259 (E_RNA)
where:
Base-Base interactions energy: -175.262
where: short stacking energy: -74.839
Base-Backbone interact. energy: -0.467
local terms energy: -120.545270
where:
bonds (distance) C4'-P energy: -28.014
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -289.758272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.758272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.758272 (E_RNA)
where:
Base-Base interactions energy: -194.344
where: short stacking energy: -101.241
Base-Backbone interact. energy: 0.786
local terms energy: -96.200820
where:
bonds (distance) C4'-P energy: -25.252
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -7.875
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: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -553.361130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.361130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.361130 (E_RNA)
where:
Base-Base interactions energy: -366.024
where: short stacking energy: -186.347
Base-Backbone interact. energy: -0.163
local terms energy: -187.174531
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -33.327
flat angles C4'-P-C4' energy: -37.355
flat angles P-C4'-P energy: -26.701
tors. eta vs tors. theta energy: -54.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -514.555706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.555706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.555706 (E_RNA)
where:
Base-Base interactions energy: -341.143
where: short stacking energy: -171.000
Base-Backbone interact. energy: -0.187
local terms energy: -173.225717
where:
bonds (distance) C4'-P energy: -33.175
bonds (distance) P-C4' energy: -38.679
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: -44.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -492.527558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.527558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.527558 (E_RNA)
where:
Base-Base interactions energy: -318.850
where: short stacking energy: -155.579
Base-Backbone interact. energy: -0.091
local terms energy: -173.587186
where:
bonds (distance) C4'-P energy: -38.037
bonds (distance) P-C4' energy: -37.727
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: -44.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -472.940336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.940336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.940336 (E_RNA)
where:
Base-Base interactions energy: -325.734
where: short stacking energy: -150.349
Base-Backbone interact. energy: -1.186
local terms energy: -146.020184
where:
bonds (distance) C4'-P energy: -27.775
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -30.315
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: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -452.144220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.144220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.144220 (E_RNA)
where:
Base-Base interactions energy: -302.010
where: short stacking energy: -137.827
Base-Backbone interact. energy: -0.339
local terms energy: -149.795462
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -36.776
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -33.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -344.334905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.334905 (E_RNA)
where:
Base-Base interactions energy: -208.832
where: short stacking energy: -116.390
Base-Backbone interact. energy: 2.628
local terms energy: -138.131558
where:
bonds (distance) C4'-P energy: -27.414
bonds (distance) P-C4' energy: -32.123
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -330.400136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.400136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.400136 (E_RNA)
where:
Base-Base interactions energy: -202.792
where: short stacking energy: -100.320
Base-Backbone interact. energy: -0.127
local terms energy: -127.481032
where:
bonds (distance) C4'-P energy: -32.188
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -20.863
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: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -321.435482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.435482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.435482 (E_RNA)
where:
Base-Base interactions energy: -194.074
where: short stacking energy: -95.610
Base-Backbone interact. energy: -0.750
local terms energy: -126.611193
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -32.158
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -20.890
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: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -318.200218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.200218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.200218 (E_RNA)
where:
Base-Base interactions energy: -209.729
where: short stacking energy: -94.682
Base-Backbone interact. energy: -0.475
local terms energy: -107.995717
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -298.017238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.017238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.017238 (E_RNA)
where:
Base-Base interactions energy: -182.584
where: short stacking energy: -90.170
Base-Backbone interact. energy: -0.690
local terms energy: -114.743215
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -549.207788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.207788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.207788 (E_RNA)
where:
Base-Base interactions energy: -355.703
where: short stacking energy: -180.380
Base-Backbone interact. energy: -1.125
local terms energy: -192.379374
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -37.781
flat angles P-C4'-P energy: -23.048
tors. eta vs tors. theta energy: -54.941
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: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -526.750976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.750976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.750976 (E_RNA)
where:
Base-Base interactions energy: -355.495
where: short stacking energy: -182.609
Base-Backbone interact. energy: -0.036
local terms energy: -171.219557
where:
bonds (distance) C4'-P energy: -29.418
bonds (distance) P-C4' energy: -30.479
flat angles C4'-P-C4' energy: -35.394
flat angles P-C4'-P energy: -27.387
tors. eta vs tors. theta energy: -48.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -495.275268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.275268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.275268 (E_RNA)
where:
Base-Base interactions energy: -322.946
where: short stacking energy: -159.231
Base-Backbone interact. energy: -0.751
local terms energy: -171.578293
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -33.973
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -43.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -451.124814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.124814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.124814 (E_RNA)
where:
Base-Base interactions energy: -295.911
where: short stacking energy: -138.412
Base-Backbone interact. energy: 0.031
local terms energy: -155.244063
where:
bonds (distance) C4'-P energy: -35.100
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -25.177
tors. eta vs tors. theta energy: -36.751
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: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -439.019744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.019744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.019744 (E_RNA)
where:
Base-Base interactions energy: -281.482
where: short stacking energy: -124.795
Base-Backbone interact. energy: -0.607
local terms energy: -156.930005
where:
bonds (distance) C4'-P energy: -31.926
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -26.899
tors. eta vs tors. theta energy: -31.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -354.538566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.538566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.538566 (E_RNA)
where:
Base-Base interactions energy: -218.962
where: short stacking energy: -101.162
Base-Backbone interact. energy: -0.292
local terms energy: -135.285214
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -32.686
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -21.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -307.505839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.505839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.505839 (E_RNA)
where:
Base-Base interactions energy: -183.703
where: short stacking energy: -88.623
Base-Backbone interact. energy: -0.321
local terms energy: -123.481092
where:
bonds (distance) C4'-P energy: -30.219
bonds (distance) P-C4' energy: -37.060
flat angles C4'-P-C4' energy: -27.413
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -335.324365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.324365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.324365 (E_RNA)
where:
Base-Base interactions energy: -208.707
where: short stacking energy: -100.915
Base-Backbone interact. energy: -0.251
local terms energy: -126.367007
where:
bonds (distance) C4'-P energy: -30.506
bonds (distance) P-C4' energy: -26.218
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -297.593144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.593144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.593144 (E_RNA)
where:
Base-Base interactions energy: -180.261
where: short stacking energy: -70.080
Base-Backbone interact. energy: -0.758
local terms energy: -116.573775
where:
bonds (distance) C4'-P energy: -30.133
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -281.370768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.370768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.370768 (E_RNA)
where:
Base-Base interactions energy: -179.866
where: short stacking energy: -83.278
Base-Backbone interact. energy: -0.673
local terms energy: -100.832591
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -28.228
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -542.795383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.795383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.795383 (E_RNA)
where:
Base-Base interactions energy: -351.744
where: short stacking energy: -177.409
Base-Backbone interact. energy: -0.521
local terms energy: -190.530369
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -37.621
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: -50.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -501.093649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.093649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.093649 (E_RNA)
where:
Base-Base interactions energy: -334.079
where: short stacking energy: -171.068
Base-Backbone interact. energy: -0.068
local terms energy: -166.946902
where:
bonds (distance) C4'-P energy: -30.620
bonds (distance) P-C4' energy: -34.068
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -22.016
tors. eta vs tors. theta energy: -43.620
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -504.557377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.557377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.557377 (E_RNA)
where:
Base-Base interactions energy: -330.978
where: short stacking energy: -174.955
Base-Backbone interact. energy: 0.606
local terms energy: -174.185083
where:
bonds (distance) C4'-P energy: -34.468
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -29.631
tors. eta vs tors. theta energy: -44.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -455.865247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.865247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.865247 (E_RNA)
where:
Base-Base interactions energy: -302.890
where: short stacking energy: -128.769
Base-Backbone interact. energy: 2.823
local terms energy: -155.798519
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -34.225
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -30.452
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: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -453.121628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.121628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.121628 (E_RNA)
where:
Base-Base interactions energy: -286.635
where: short stacking energy: -157.724
Base-Backbone interact. energy: -0.023
local terms energy: -166.464307
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -45.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -377.876172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.876172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.876172 (E_RNA)
where:
Base-Base interactions energy: -236.660
where: short stacking energy: -121.727
Base-Backbone interact. energy: -0.421
local terms energy: -140.795561
where:
bonds (distance) C4'-P energy: -26.585
bonds (distance) P-C4' energy: -29.788
flat angles C4'-P-C4' energy: -32.816
flat angles P-C4'-P energy: -24.538
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -325.576637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.576637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.576637 (E_RNA)
where:
Base-Base interactions energy: -192.727
where: short stacking energy: -88.345
Base-Backbone interact. energy: -0.694
local terms energy: -132.155860
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -33.959
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -13.207
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: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -315.770048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.770048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.770048 (E_RNA)
where:
Base-Base interactions energy: -184.290
where: short stacking energy: -93.589
Base-Backbone interact. energy: -0.337
local terms energy: -131.143135
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -32.791
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -227.791713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.791713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.791713 (E_RNA)
where:
Base-Base interactions energy: -133.791
where: short stacking energy: -79.117
Base-Backbone interact. energy: 0.104
local terms energy: -94.104602
where:
bonds (distance) C4'-P energy: -24.946
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -253.184060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.184060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.184060 (E_RNA)
where:
Base-Base interactions energy: -132.490
where: short stacking energy: -62.664
Base-Backbone interact. energy: 0.217
local terms energy: -120.910882
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -10.107
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: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -545.371408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.371408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.371408 (E_RNA)
where:
Base-Base interactions energy: -359.762
where: short stacking energy: -177.113
Base-Backbone interact. energy: 0.694
local terms energy: -186.303948
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -54.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -526.441986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.441986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.441986 (E_RNA)
where:
Base-Base interactions energy: -339.696
where: short stacking energy: -175.771
Base-Backbone interact. energy: -0.120
local terms energy: -186.625906
where:
bonds (distance) C4'-P energy: -34.676
bonds (distance) P-C4' energy: -36.722
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -28.099
tors. eta vs tors. theta energy: -50.995
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: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -477.656670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.656670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.656670 (E_RNA)
where:
Base-Base interactions energy: -293.112
where: short stacking energy: -157.875
Base-Backbone interact. energy: -0.102
local terms energy: -184.443167
where:
bonds (distance) C4'-P energy: -41.945
bonds (distance) P-C4' energy: -35.937
flat angles C4'-P-C4' energy: -35.446
flat angles P-C4'-P energy: -26.732
tors. eta vs tors. theta energy: -44.383
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: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -430.116822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.116822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.116822 (E_RNA)
where:
Base-Base interactions energy: -269.460
where: short stacking energy: -116.953
Base-Backbone interact. energy: -0.845
local terms energy: -159.812518
where:
bonds (distance) C4'-P energy: -35.421
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -33.118
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -31.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -445.266835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.266835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.266835 (E_RNA)
where:
Base-Base interactions energy: -281.000
where: short stacking energy: -150.112
Base-Backbone interact. energy: -0.157
local terms energy: -164.110380
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -35.927
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -43.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -386.183528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.183528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.183528 (E_RNA)
where:
Base-Base interactions energy: -241.097
where: short stacking energy: -128.183
Base-Backbone interact. energy: -0.162
local terms energy: -144.924966
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -33.872
flat angles C4'-P-C4' energy: -35.386
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -324.366086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.366086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.366086 (E_RNA)
where:
Base-Base interactions energy: -203.950
where: short stacking energy: -110.730
Base-Backbone interact. energy: 0.368
local terms energy: -120.784018
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -19.017
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: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -322.788748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.788748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.788748 (E_RNA)
where:
Base-Base interactions energy: -193.036
where: short stacking energy: -97.515
Base-Backbone interact. energy: -0.238
local terms energy: -129.514285
where:
bonds (distance) C4'-P energy: -28.624
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -38.615
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -228.928494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.928494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.928494 (E_RNA)
where:
Base-Base interactions energy: -111.698
where: short stacking energy: -64.015
Base-Backbone interact. energy: -1.855
local terms energy: -115.375322
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: 2.198
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: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -223.983714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.983714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.983714 (E_RNA)
where:
Base-Base interactions energy: -114.466
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.457
local terms energy: -109.060998
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -32.883
flat angles C4'-P-C4' energy: -27.379
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -533.449249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.449249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.449249 (E_RNA)
where:
Base-Base interactions energy: -348.967
where: short stacking energy: -174.403
Base-Backbone interact. energy: -0.025
local terms energy: -184.457162
where:
bonds (distance) C4'-P energy: -33.780
bonds (distance) P-C4' energy: -34.078
flat angles C4'-P-C4' energy: -40.146
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -49.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -527.518897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.518897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.518897 (E_RNA)
where:
Base-Base interactions energy: -345.431
where: short stacking energy: -173.900
Base-Backbone interact. energy: -0.614
local terms energy: -181.473668
where:
bonds (distance) C4'-P energy: -31.922
bonds (distance) P-C4' energy: -35.809
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -54.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -498.835217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.835217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.835217 (E_RNA)
where:
Base-Base interactions energy: -338.066
where: short stacking energy: -169.238
Base-Backbone interact. energy: 0.528
local terms energy: -161.297720
where:
bonds (distance) C4'-P energy: -31.479
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -461.452976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.452976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.452976 (E_RNA)
where:
Base-Base interactions energy: -301.376
where: short stacking energy: -145.110
Base-Backbone interact. energy: -0.663
local terms energy: -159.413566
where:
bonds (distance) C4'-P energy: -33.568
bonds (distance) P-C4' energy: -30.337
flat angles C4'-P-C4' energy: -34.751
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: -39.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -444.302405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.302405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.302405 (E_RNA)
where:
Base-Base interactions energy: -284.761
where: short stacking energy: -151.022
Base-Backbone interact. energy: -0.395
local terms energy: -159.146382
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -41.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -357.036913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.036913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.036913 (E_RNA)
where:
Base-Base interactions energy: -212.234
where: short stacking energy: -114.175
Base-Backbone interact. energy: -0.867
local terms energy: -143.935916
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -332.352272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.352272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.352272 (E_RNA)
where:
Base-Base interactions energy: -182.189
where: short stacking energy: -90.075
Base-Backbone interact. energy: -0.165
local terms energy: -149.998805
where:
bonds (distance) C4'-P energy: -34.589
bonds (distance) P-C4' energy: -36.001
flat angles C4'-P-C4' energy: -36.124
flat angles P-C4'-P energy: -19.510
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -309.341156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.341156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.341156 (E_RNA)
where:
Base-Base interactions energy: -188.830
where: short stacking energy: -92.114
Base-Backbone interact. energy: 0.250
local terms energy: -120.761655
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -17.656
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: 66
Temperature: 1.300000
Total energy: -265.067416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.067416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.067416 (E_RNA)
where:
Base-Base interactions energy: -145.257
where: short stacking energy: -81.477
Base-Backbone interact. energy: -0.155
local terms energy: -119.655238
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -34.409
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -219.185797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.185797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.185797 (E_RNA)
where:
Base-Base interactions energy: -118.673
where: short stacking energy: -75.818
Base-Backbone interact. energy: -0.300
local terms energy: -100.212964
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -9.419
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: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -547.083290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.083290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.083290 (E_RNA)
where:
Base-Base interactions energy: -361.818
where: short stacking energy: -179.538
Base-Backbone interact. energy: -0.188
local terms energy: -185.077303
where:
bonds (distance) C4'-P energy: -32.650
bonds (distance) P-C4' energy: -36.076
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -51.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -503.405708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.405708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.405708 (E_RNA)
where:
Base-Base interactions energy: -328.220
where: short stacking energy: -167.688
Base-Backbone interact. energy: -0.733
local terms energy: -174.451908
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -33.061
flat angles C4'-P-C4' energy: -36.224
flat angles P-C4'-P energy: -27.960
tors. eta vs tors. theta energy: -46.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -509.542405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.542405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.542405 (E_RNA)
where:
Base-Base interactions energy: -334.291
where: short stacking energy: -166.200
Base-Backbone interact. energy: -0.425
local terms energy: -174.825937
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -45.890
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: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -471.304718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.304718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.304718 (E_RNA)
where:
Base-Base interactions energy: -304.955
where: short stacking energy: -157.837
Base-Backbone interact. energy: -0.329
local terms energy: -166.019845
where:
bonds (distance) C4'-P energy: -29.126
bonds (distance) P-C4' energy: -33.441
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -24.083
tors. eta vs tors. theta energy: -44.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -422.939856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.939856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.939856 (E_RNA)
where:
Base-Base interactions energy: -276.782
where: short stacking energy: -136.159
Base-Backbone interact. energy: 1.164
local terms energy: -147.322023
where:
bonds (distance) C4'-P energy: -32.206
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -29.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -358.105609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.105609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.105609 (E_RNA)
where:
Base-Base interactions energy: -211.309
where: short stacking energy: -114.426
Base-Backbone interact. energy: 0.633
local terms energy: -147.429769
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -34.598
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -23.692
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: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -387.052756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.052756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.052756 (E_RNA)
where:
Base-Base interactions energy: -245.322
where: short stacking energy: -117.738
Base-Backbone interact. energy: -0.636
local terms energy: -141.094692
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -32.854
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -25.859
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: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -334.135472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.135472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.135472 (E_RNA)
where:
Base-Base interactions energy: -209.867
where: short stacking energy: -103.824
Base-Backbone interact. energy: -0.176
local terms energy: -124.092518
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -29.112
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -20.394
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: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -245.215090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.215090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.215090 (E_RNA)
where:
Base-Base interactions energy: -127.409
where: short stacking energy: -80.143
Base-Backbone interact. energy: -0.177
local terms energy: -117.628892
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -220.035662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.035662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.035662 (E_RNA)
where:
Base-Base interactions energy: -112.139
where: short stacking energy: -63.077
Base-Backbone interact. energy: -1.140
local terms energy: -106.756285
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -18.242
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: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -542.218866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.218866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.218866 (E_RNA)
where:
Base-Base interactions energy: -356.505
where: short stacking energy: -173.764
Base-Backbone interact. energy: -0.061
local terms energy: -185.652531
where:
bonds (distance) C4'-P energy: -38.017
bonds (distance) P-C4' energy: -35.042
flat angles C4'-P-C4' energy: -34.807
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -50.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -529.473836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.473836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.473836 (E_RNA)
where:
Base-Base interactions energy: -355.641
where: short stacking energy: -178.099
Base-Backbone interact. energy: -0.159
local terms energy: -173.674398
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -30.276
flat angles C4'-P-C4' energy: -35.042
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: -48.859
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: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -473.543409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.543409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.543409 (E_RNA)
where:
Base-Base interactions energy: -309.909
where: short stacking energy: -156.033
Base-Backbone interact. energy: -0.129
local terms energy: -163.505181
where:
bonds (distance) C4'-P energy: -37.641
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -34.056
flat angles P-C4'-P energy: -26.640
tors. eta vs tors. theta energy: -39.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -482.558006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.558006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.558006 (E_RNA)
where:
Base-Base interactions energy: -321.586
where: short stacking energy: -159.595
Base-Backbone interact. energy: -0.964
local terms energy: -160.008220
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -31.684
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -38.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -395.661041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.661041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.661041 (E_RNA)
where:
Base-Base interactions energy: -237.792
where: short stacking energy: -134.520
Base-Backbone interact. energy: 0.194
local terms energy: -158.063236
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -36.290
flat angles P-C4'-P energy: -23.161
tors. eta vs tors. theta energy: -39.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -425.929241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.929241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.929241 (E_RNA)
where:
Base-Base interactions energy: -289.055
where: short stacking energy: -128.719
Base-Backbone interact. energy: -0.670
local terms energy: -136.204558
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -31.036
flat angles P-C4'-P energy: -19.266
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -376.202551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.202551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.202551 (E_RNA)
where:
Base-Base interactions energy: -236.554
where: short stacking energy: -126.509
Base-Backbone interact. energy: 0.863
local terms energy: -140.511412
where:
bonds (distance) C4'-P energy: -30.253
bonds (distance) P-C4' energy: -30.853
flat angles C4'-P-C4' energy: -27.909
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -28.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -360.240411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.240411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.240411 (E_RNA)
where:
Base-Base interactions energy: -222.880
where: short stacking energy: -110.796
Base-Backbone interact. energy: -0.455
local terms energy: -136.905945
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -36.207
flat angles P-C4'-P energy: -21.823
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: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -239.821829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.821829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.821829 (E_RNA)
where:
Base-Base interactions energy: -131.947
where: short stacking energy: -83.606
Base-Backbone interact. energy: -0.032
local terms energy: -107.842671
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -29.651
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -257.532532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.532532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.532532 (E_RNA)
where:
Base-Base interactions energy: -138.725
where: short stacking energy: -90.470
Base-Backbone interact. energy: -0.229
local terms energy: -118.578132
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -32.780
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -544.014348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.014348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.014348 (E_RNA)
where:
Base-Base interactions energy: -362.460
where: short stacking energy: -176.580
Base-Backbone interact. energy: 0.172
local terms energy: -181.725870
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -42.156
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -48.065
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: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -501.779540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.779540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.779540 (E_RNA)
where:
Base-Base interactions energy: -318.230
where: short stacking energy: -170.578
Base-Backbone interact. energy: -0.666
local terms energy: -182.883803
where:
bonds (distance) C4'-P energy: -37.445
bonds (distance) P-C4' energy: -32.475
flat angles C4'-P-C4' energy: -35.386
flat angles P-C4'-P energy: -26.929
tors. eta vs tors. theta energy: -50.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -479.531372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.531372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.531372 (E_RNA)
where:
Base-Base interactions energy: -328.419
where: short stacking energy: -175.178
Base-Backbone interact. energy: -0.172
local terms energy: -150.940313
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -42.257
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: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -495.282729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.282729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.282729 (E_RNA)
where:
Base-Base interactions energy: -331.271
where: short stacking energy: -159.465
Base-Backbone interact. energy: -0.176
local terms energy: -163.835761
where:
bonds (distance) C4'-P energy: -33.595
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -39.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -353.965845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.965845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.965845 (E_RNA)
where:
Base-Base interactions energy: -212.641
where: short stacking energy: -116.678
Base-Backbone interact. energy: -0.507
local terms energy: -140.817580
where:
bonds (distance) C4'-P energy: -26.909
bonds (distance) P-C4' energy: -36.678
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -21.288
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: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -427.567046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.567046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.567046 (E_RNA)
where:
Base-Base interactions energy: -277.534
where: short stacking energy: -119.264
Base-Backbone interact. energy: -0.253
local terms energy: -149.779955
where:
bonds (distance) C4'-P energy: -35.975
bonds (distance) P-C4' energy: -31.444
flat angles C4'-P-C4' energy: -29.716
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -29.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -353.745186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.745186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.745186 (E_RNA)
where:
Base-Base interactions energy: -222.092
where: short stacking energy: -108.534
Base-Backbone interact. energy: -1.100
local terms energy: -130.553390
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -26.252
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -360.989794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.989794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.989794 (E_RNA)
where:
Base-Base interactions energy: -215.006
where: short stacking energy: -104.483
Base-Backbone interact. energy: -2.569
local terms energy: -143.414074
where:
bonds (distance) C4'-P energy: -29.975
bonds (distance) P-C4' energy: -29.147
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -264.751320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.751320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.751320 (E_RNA)
where:
Base-Base interactions energy: -150.936
where: short stacking energy: -70.438
Base-Backbone interact. energy: -0.618
local terms energy: -113.197269
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -32.155
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -232.022055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.022055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022055 (E_RNA)
where:
Base-Base interactions energy: -126.800
where: short stacking energy: -75.781
Base-Backbone interact. energy: -1.352
local terms energy: -103.870233
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -552.943456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.943456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.943456 (E_RNA)
where:
Base-Base interactions energy: -360.655
where: short stacking energy: -183.546
Base-Backbone interact. energy: -0.514
local terms energy: -191.774613
where:
bonds (distance) C4'-P energy: -40.907
bonds (distance) P-C4' energy: -34.641
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -25.046
tors. eta vs tors. theta energy: -52.509
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: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -510.409985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.409985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.409985 (E_RNA)
where:
Base-Base interactions energy: -324.312
where: short stacking energy: -167.571
Base-Backbone interact. energy: 1.731
local terms energy: -187.829563
where:
bonds (distance) C4'-P energy: -34.179
bonds (distance) P-C4' energy: -34.996
flat angles C4'-P-C4' energy: -38.649
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -52.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -495.785663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.785663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.785663 (E_RNA)
where:
Base-Base interactions energy: -330.752
where: short stacking energy: -151.653
Base-Backbone interact. energy: -0.376
local terms energy: -164.658541
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -28.860
tors. eta vs tors. theta energy: -42.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -471.087840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.087840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.087840 (E_RNA)
where:
Base-Base interactions energy: -300.051
where: short stacking energy: -142.526
Base-Backbone interact. energy: -0.548
local terms energy: -170.488821
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -22.584
tors. eta vs tors. theta energy: -37.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -441.569821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.569821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.569821 (E_RNA)
where:
Base-Base interactions energy: -296.768
where: short stacking energy: -138.238
Base-Backbone interact. energy: -0.561
local terms energy: -144.239856
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -31.169
flat angles C4'-P-C4' energy: -30.480
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: -29.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -338.757825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.757825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.757825 (E_RNA)
where:
Base-Base interactions energy: -217.406
where: short stacking energy: -104.048
Base-Backbone interact. energy: -0.684
local terms energy: -120.668611
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -30.875
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -336.417001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.417001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.417001 (E_RNA)
where:
Base-Base interactions energy: -209.412
where: short stacking energy: -101.524
Base-Backbone interact. energy: 2.057
local terms energy: -129.061262
where:
bonds (distance) C4'-P energy: -31.984
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -29.585
flat angles P-C4'-P energy: -15.542
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: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -312.664073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.664073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.664073 (E_RNA)
where:
Base-Base interactions energy: -183.478
where: short stacking energy: -92.865
Base-Backbone interact. energy: -0.507
local terms energy: -128.678504
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -27.885
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -253.045716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.045716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.045716 (E_RNA)
where:
Base-Base interactions energy: -138.549
where: short stacking energy: -84.925
Base-Backbone interact. energy: 0.845
local terms energy: -115.341417
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -31.953
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -16.661
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: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -230.749223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.749223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.749223 (E_RNA)
where:
Base-Base interactions energy: -108.019
where: short stacking energy: -54.514
Base-Backbone interact. energy: 2.109
local terms energy: -124.839303
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -40.006
flat angles C4'-P-C4' energy: -31.534
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -555.961455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.961455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.961455 (E_RNA)
where:
Base-Base interactions energy: -368.954
where: short stacking energy: -185.957
Base-Backbone interact. energy: -2.598
local terms energy: -184.410254
where:
bonds (distance) C4'-P energy: -28.660
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -41.914
flat angles P-C4'-P energy: -26.402
tors. eta vs tors. theta energy: -53.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -515.715536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.715536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.715536 (E_RNA)
where:
Base-Base interactions energy: -336.473
where: short stacking energy: -162.041
Base-Backbone interact. energy: -0.303
local terms energy: -178.940111
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -39.389
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -48.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -495.387332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.387332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.387332 (E_RNA)
where:
Base-Base interactions energy: -319.323
where: short stacking energy: -162.995
Base-Backbone interact. energy: -1.072
local terms energy: -174.991742
where:
bonds (distance) C4'-P energy: -36.041
bonds (distance) P-C4' energy: -31.773
flat angles C4'-P-C4' energy: -34.533
flat angles P-C4'-P energy: -24.033
tors. eta vs tors. theta energy: -48.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -460.607641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.607641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.607641 (E_RNA)
where:
Base-Base interactions energy: -312.582
where: short stacking energy: -146.423
Base-Backbone interact. energy: -0.011
local terms energy: -148.014075
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -24.191
tors. eta vs tors. theta energy: -27.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -439.923825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.923825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.923825 (E_RNA)
where:
Base-Base interactions energy: -284.196
where: short stacking energy: -143.722
Base-Backbone interact. energy: -0.255
local terms energy: -155.473547
where:
bonds (distance) C4'-P energy: -31.984
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -33.248
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -34.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -384.610110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.610110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.610110 (E_RNA)
where:
Base-Base interactions energy: -245.770
where: short stacking energy: -105.711
Base-Backbone interact. energy: 1.018
local terms energy: -139.858577
where:
bonds (distance) C4'-P energy: -30.082
bonds (distance) P-C4' energy: -38.594
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -325.595657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.595657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.595657 (E_RNA)
where:
Base-Base interactions energy: -194.628
where: short stacking energy: -88.433
Base-Backbone interact. energy: 0.857
local terms energy: -131.823969
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -29.958
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -15.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -314.404302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.404302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.404302 (E_RNA)
where:
Base-Base interactions energy: -186.328
where: short stacking energy: -82.736
Base-Backbone interact. energy: 2.061
local terms energy: -130.137531
where:
bonds (distance) C4'-P energy: -37.001
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -28.503
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -8.829
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: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -241.970277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.970277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.970277 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -84.855
Base-Backbone interact. energy: -1.587
local terms energy: -107.113086
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -15.380
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: 10, replica: 10
=====================================
Write number: 71
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: -111.230
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.340
local terms energy: -105.678688
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: 2.562
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -546.792072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.792072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.792072 (E_RNA)
where:
Base-Base interactions energy: -364.197
where: short stacking energy: -189.933
Base-Backbone interact. energy: -0.294
local terms energy: -182.301401
where:
bonds (distance) C4'-P energy: -37.824
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -21.827
tors. eta vs tors. theta energy: -55.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -524.136016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.136016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.136016 (E_RNA)
where:
Base-Base interactions energy: -341.196
where: short stacking energy: -185.924
Base-Backbone interact. energy: -0.615
local terms energy: -182.324934
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -33.559
flat angles C4'-P-C4' energy: -41.637
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -49.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -464.606614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.606614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.606614 (E_RNA)
where:
Base-Base interactions energy: -319.035
where: short stacking energy: -131.425
Base-Backbone interact. energy: 0.438
local terms energy: -146.009575
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -33.069
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -30.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -499.886538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.886538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.886538 (E_RNA)
where:
Base-Base interactions energy: -314.390
where: short stacking energy: -167.272
Base-Backbone interact. energy: -0.534
local terms energy: -184.962301
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -39.365
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -49.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -433.832721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.832721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.832721 (E_RNA)
where:
Base-Base interactions energy: -294.498
where: short stacking energy: -132.580
Base-Backbone interact. energy: 0.022
local terms energy: -139.357164
where:
bonds (distance) C4'-P energy: -33.037
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -29.501
flat angles P-C4'-P energy: -17.649
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: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -381.911471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.911471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.911471 (E_RNA)
where:
Base-Base interactions energy: -227.609
where: short stacking energy: -101.666
Base-Backbone interact. energy: -0.472
local terms energy: -153.830753
where:
bonds (distance) C4'-P energy: -34.989
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -34.659
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -22.157
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: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -311.101657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.101657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.101657 (E_RNA)
where:
Base-Base interactions energy: -180.039
where: short stacking energy: -84.247
Base-Backbone interact. energy: -0.468
local terms energy: -130.594743
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: -17.243
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -328.138020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.138020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.138020 (E_RNA)
where:
Base-Base interactions energy: -202.183
where: short stacking energy: -83.926
Base-Backbone interact. energy: -1.064
local terms energy: -124.890627
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -32.914
flat angles C4'-P-C4' energy: -33.184
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -11.473
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: 72
Temperature: 1.300000
Total energy: -239.470294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.470294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.470294 (E_RNA)
where:
Base-Base interactions energy: -126.107
where: short stacking energy: -74.168
Base-Backbone interact. energy: 1.207
local terms energy: -114.569804
where:
bonds (distance) C4'-P energy: -29.677
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -15.870
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: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -259.926663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.926663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.926663 (E_RNA)
where:
Base-Base interactions energy: -143.856
where: short stacking energy: -70.231
Base-Backbone interact. energy: 2.218
local terms energy: -118.287885
where:
bonds (distance) C4'-P energy: -32.500
bonds (distance) P-C4' energy: -31.360
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: -9.504
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: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -547.326544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.326544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.326544 (E_RNA)
where:
Base-Base interactions energy: -357.058
where: short stacking energy: -176.284
Base-Backbone interact. energy: -0.757
local terms energy: -189.511673
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -39.818
flat angles P-C4'-P energy: -28.145
tors. eta vs tors. theta energy: -52.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -533.176538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.176538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.176538 (E_RNA)
where:
Base-Base interactions energy: -356.381
where: short stacking energy: -186.513
Base-Backbone interact. energy: -0.039
local terms energy: -176.757237
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -37.091
flat angles P-C4'-P energy: -24.864
tors. eta vs tors. theta energy: -54.561
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: 73
Temperature: 1.000000
Total energy: -466.647164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.647164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.647164 (E_RNA)
where:
Base-Base interactions energy: -307.277
where: short stacking energy: -146.363
Base-Backbone interact. energy: -0.340
local terms energy: -159.030343
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -36.355
flat angles C4'-P-C4' energy: -34.636
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -31.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -482.122921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.122921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.122921 (E_RNA)
where:
Base-Base interactions energy: -311.896
where: short stacking energy: -155.695
Base-Backbone interact. energy: -0.381
local terms energy: -169.845450
where:
bonds (distance) C4'-P energy: -32.929
bonds (distance) P-C4' energy: -35.054
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -22.022
tors. eta vs tors. theta energy: -43.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -441.919669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.919669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.919669 (E_RNA)
where:
Base-Base interactions energy: -299.772
where: short stacking energy: -137.504
Base-Backbone interact. energy: 0.370
local terms energy: -142.516885
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -32.402
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: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -396.854128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.854128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.854128 (E_RNA)
where:
Base-Base interactions energy: -249.442
where: short stacking energy: -110.316
Base-Backbone interact. energy: -0.448
local terms energy: -146.964510
where:
bonds (distance) C4'-P energy: -35.225
bonds (distance) P-C4' energy: -31.658
flat angles C4'-P-C4' energy: -30.751
flat angles P-C4'-P energy: -20.954
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -321.888313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.888313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.888313 (E_RNA)
where:
Base-Base interactions energy: -190.525
where: short stacking energy: -96.242
Base-Backbone interact. energy: 3.651
local terms energy: -135.014678
where:
bonds (distance) C4'-P energy: -32.618
bonds (distance) P-C4' energy: -26.289
flat angles C4'-P-C4' energy: -31.128
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -239.180697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.180697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.180697 (E_RNA)
where:
Base-Base interactions energy: -134.953
where: short stacking energy: -82.890
Base-Backbone interact. energy: -0.960
local terms energy: -103.268172
where:
bonds (distance) C4'-P energy: -31.281
bonds (distance) P-C4' energy: -32.927
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -293.900386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.900386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.900386 (E_RNA)
where:
Base-Base interactions energy: -187.629
where: short stacking energy: -72.225
Base-Backbone interact. energy: -1.204
local terms energy: -105.068145
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -35.146
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -226.182532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.182532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.182532 (E_RNA)
where:
Base-Base interactions energy: -112.284
where: short stacking energy: -66.941
Base-Backbone interact. energy: -0.334
local terms energy: -113.564610
where:
bonds (distance) C4'-P energy: -33.368
bonds (distance) P-C4' energy: -31.277
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -7.094
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -545.931964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.931964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.931964 (E_RNA)
where:
Base-Base interactions energy: -361.508
where: short stacking energy: -189.263
Base-Backbone interact. energy: -0.115
local terms energy: -184.309482
where:
bonds (distance) C4'-P energy: -32.908
bonds (distance) P-C4' energy: -34.919
flat angles C4'-P-C4' energy: -37.247
flat angles P-C4'-P energy: -28.013
tors. eta vs tors. theta energy: -51.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -528.997139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.997139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.997139 (E_RNA)
where:
Base-Base interactions energy: -344.472
where: short stacking energy: -175.821
Base-Backbone interact. energy: -0.479
local terms energy: -184.045278
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -36.411
flat angles P-C4'-P energy: -25.998
tors. eta vs tors. theta energy: -53.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -481.958175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.958175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.958175 (E_RNA)
where:
Base-Base interactions energy: -305.627
where: short stacking energy: -158.790
Base-Backbone interact. energy: -0.595
local terms energy: -175.736185
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -33.673
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -47.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -448.863729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.863729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.863729 (E_RNA)
where:
Base-Base interactions energy: -302.607
where: short stacking energy: -129.209
Base-Backbone interact. energy: -1.144
local terms energy: -145.113375
where:
bonds (distance) C4'-P energy: -35.619
bonds (distance) P-C4' energy: -34.814
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -26.646
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: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -426.521984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.521984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.521984 (E_RNA)
where:
Base-Base interactions energy: -279.232
where: short stacking energy: -141.487
Base-Backbone interact. energy: 0.272
local terms energy: -147.562454
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -28.129
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -420.074991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.074991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.074991 (E_RNA)
where:
Base-Base interactions energy: -268.870
where: short stacking energy: -138.319
Base-Backbone interact. energy: -0.700
local terms energy: -150.505236
where:
bonds (distance) C4'-P energy: -36.477
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -38.965
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: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -314.036226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.036226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.036226 (E_RNA)
where:
Base-Base interactions energy: -192.216
where: short stacking energy: -101.192
Base-Backbone interact. energy: 2.031
local terms energy: -123.851056
where:
bonds (distance) C4'-P energy: -28.317
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -242.149829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.149829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.149829 (E_RNA)
where:
Base-Base interactions energy: -118.806
where: short stacking energy: -70.057
Base-Backbone interact. energy: -0.318
local terms energy: -123.026231
where:
bonds (distance) C4'-P energy: -40.309
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -10.964
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: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -308.837723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.837723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.837723 (E_RNA)
where:
Base-Base interactions energy: -183.108
where: short stacking energy: -91.201
Base-Backbone interact. energy: -0.903
local terms energy: -124.827091
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -25.700
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -224.685066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.685066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.685066 (E_RNA)
where:
Base-Base interactions energy: -119.539
where: short stacking energy: -65.692
Base-Backbone interact. energy: 0.099
local terms energy: -105.245733
where:
bonds (distance) C4'-P energy: -25.981
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -21.136
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: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -531.376427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.376427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.376427 (E_RNA)
where:
Base-Base interactions energy: -343.274
where: short stacking energy: -173.468
Base-Backbone interact. energy: -0.015
local terms energy: -188.087093
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -33.978
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -53.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -528.837454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.837454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.837454 (E_RNA)
where:
Base-Base interactions energy: -346.295
where: short stacking energy: -181.721
Base-Backbone interact. energy: -0.283
local terms energy: -182.259253
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -30.215
flat angles C4'-P-C4' energy: -42.891
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -52.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -501.937071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.937071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.937071 (E_RNA)
where:
Base-Base interactions energy: -320.125
where: short stacking energy: -167.444
Base-Backbone interact. energy: -0.649
local terms energy: -181.163097
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -28.350
flat angles C4'-P-C4' energy: -39.466
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: -48.480
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: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -445.485835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.485835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.485835 (E_RNA)
where:
Base-Base interactions energy: -274.608
where: short stacking energy: -142.638
Base-Backbone interact. energy: 0.914
local terms energy: -171.791852
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -42.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -415.583058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.583058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.583058 (E_RNA)
where:
Base-Base interactions energy: -274.557
where: short stacking energy: -115.507
Base-Backbone interact. energy: -0.653
local terms energy: -140.373120
where:
bonds (distance) C4'-P energy: -27.839
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -34.226
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -26.542
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: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -382.141757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.141757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.141757 (E_RNA)
where:
Base-Base interactions energy: -251.825
where: short stacking energy: -132.841
Base-Backbone interact. energy: -0.061
local terms energy: -130.255780
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -32.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -334.938921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.938921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.938921 (E_RNA)
where:
Base-Base interactions energy: -206.666
where: short stacking energy: -90.552
Base-Backbone interact. energy: -0.292
local terms energy: -127.981441
where:
bonds (distance) C4'-P energy: -32.650
bonds (distance) P-C4' energy: -31.464
flat angles C4'-P-C4' energy: -30.492
flat angles P-C4'-P energy: -20.396
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: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -343.853330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.853330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.853330 (E_RNA)
where:
Base-Base interactions energy: -216.638
where: short stacking energy: -115.963
Base-Backbone interact. energy: -0.446
local terms energy: -126.769961
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -27.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -232.612121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.612121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.612121 (E_RNA)
where:
Base-Base interactions energy: -120.004
where: short stacking energy: -72.815
Base-Backbone interact. energy: 0.995
local terms energy: -113.602717
where:
bonds (distance) C4'-P energy: -23.732
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -24.169
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -170.529834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.529834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.529834 (E_RNA)
where:
Base-Base interactions energy: -72.849
where: short stacking energy: -65.427
Base-Backbone interact. energy: 0.028
local terms energy: -97.709307
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -25.865
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -18.215
tors. eta vs tors. theta energy: -4.809
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -540.364043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.364043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.364043 (E_RNA)
where:
Base-Base interactions energy: -351.397
where: short stacking energy: -181.748
Base-Backbone interact. energy: -0.145
local terms energy: -188.822056
where:
bonds (distance) C4'-P energy: -36.664
bonds (distance) P-C4' energy: -38.462
flat angles C4'-P-C4' energy: -35.783
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -50.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -515.883255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.883255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.883255 (E_RNA)
where:
Base-Base interactions energy: -330.322
where: short stacking energy: -167.463
Base-Backbone interact. energy: -0.012
local terms energy: -185.549668
where:
bonds (distance) C4'-P energy: -36.564
bonds (distance) P-C4' energy: -41.517
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -46.283
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: 76
Temperature: 1.000000
Total energy: -478.733391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.733391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.733391 (E_RNA)
where:
Base-Base interactions energy: -312.389
where: short stacking energy: -154.110
Base-Backbone interact. energy: -1.563
local terms energy: -164.781907
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -32.273
flat angles C4'-P-C4' energy: -36.785
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -45.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -447.849250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.849250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.849250 (E_RNA)
where:
Base-Base interactions energy: -280.875
where: short stacking energy: -151.139
Base-Backbone interact. energy: -0.040
local terms energy: -166.934093
where:
bonds (distance) C4'-P energy: -34.840
bonds (distance) P-C4' energy: -35.132
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -42.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -446.616028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.616028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.616028 (E_RNA)
where:
Base-Base interactions energy: -307.764
where: short stacking energy: -127.394
Base-Backbone interact. energy: -0.507
local terms energy: -138.344924
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -37.964
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -28.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -377.163814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.163814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.163814 (E_RNA)
where:
Base-Base interactions energy: -237.190
where: short stacking energy: -122.016
Base-Backbone interact. energy: -0.708
local terms energy: -139.266249
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -24.795
tors. eta vs tors. theta energy: -29.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -362.875112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.875112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.875112 (E_RNA)
where:
Base-Base interactions energy: -220.215
where: short stacking energy: -114.892
Base-Backbone interact. energy: -0.257
local terms energy: -142.403826
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -24.543
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: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -324.732727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.732727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.732727 (E_RNA)
where:
Base-Base interactions energy: -209.288
where: short stacking energy: -92.004
Base-Backbone interact. energy: -0.214
local terms energy: -115.231401
where:
bonds (distance) C4'-P energy: -34.622
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -238.314612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.314612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.314612 (E_RNA)
where:
Base-Base interactions energy: -116.715
where: short stacking energy: -54.350
Base-Backbone interact. energy: -0.864
local terms energy: -120.735420
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -1.662
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: 76
Temperature: 1.350000
Total energy: -162.674385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.674385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.674385 (E_RNA)
where:
Base-Base interactions energy: -67.417
where: short stacking energy: -44.979
Base-Backbone interact. energy: -0.683
local terms energy: -94.574309
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: 4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -539.224422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.224422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.224422 (E_RNA)
where:
Base-Base interactions energy: -344.287
where: short stacking energy: -172.192
Base-Backbone interact. energy: -1.411
local terms energy: -193.526342
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -40.471
flat angles P-C4'-P energy: -27.453
tors. eta vs tors. theta energy: -54.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -514.787698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.787698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.787698 (E_RNA)
where:
Base-Base interactions energy: -345.352
where: short stacking energy: -174.586
Base-Backbone interact. energy: -0.279
local terms energy: -169.157475
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -29.560
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -46.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -480.856961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.856961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.856961 (E_RNA)
where:
Base-Base interactions energy: -310.758
where: short stacking energy: -158.313
Base-Backbone interact. energy: -1.059
local terms energy: -169.039819
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -39.649
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -45.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -460.955820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.955820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.955820 (E_RNA)
where:
Base-Base interactions energy: -312.500
where: short stacking energy: -131.613
Base-Backbone interact. energy: -0.555
local terms energy: -147.901284
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -30.353
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -24.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -430.972482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.972482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.972482 (E_RNA)
where:
Base-Base interactions energy: -271.916
where: short stacking energy: -140.802
Base-Backbone interact. energy: -0.224
local terms energy: -158.832850
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -39.518
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -35.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -384.694158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.694158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.694158 (E_RNA)
where:
Base-Base interactions energy: -244.204
where: short stacking energy: -120.266
Base-Backbone interact. energy: -0.273
local terms energy: -140.217824
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -32.366
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -397.985164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.985164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.985164 (E_RNA)
where:
Base-Base interactions energy: -241.499
where: short stacking energy: -105.169
Base-Backbone interact. energy: -0.588
local terms energy: -155.897936
where:
bonds (distance) C4'-P energy: -31.742
bonds (distance) P-C4' energy: -41.639
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -24.516
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: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -339.697655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.697655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.697655 (E_RNA)
where:
Base-Base interactions energy: -213.799
where: short stacking energy: -114.932
Base-Backbone interact. energy: 0.432
local terms energy: -126.330074
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -222.845851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.845851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.845851 (E_RNA)
where:
Base-Base interactions energy: -123.231
where: short stacking energy: -73.950
Base-Backbone interact. energy: -0.455
local terms energy: -99.159463
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -177.476993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.476993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.476993 (E_RNA)
where:
Base-Base interactions energy: -55.214
where: short stacking energy: -52.902
Base-Backbone interact. energy: 0.173
local terms energy: -122.435793
where:
bonds (distance) C4'-P energy: -28.884
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -547.529628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.529628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.529628 (E_RNA)
where:
Base-Base interactions energy: -372.843
where: short stacking energy: -188.808
Base-Backbone interact. energy: -0.056
local terms energy: -174.630313
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -40.247
flat angles P-C4'-P energy: -23.132
tors. eta vs tors. theta energy: -55.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -514.075416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.075416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.075416 (E_RNA)
where:
Base-Base interactions energy: -323.772
where: short stacking energy: -165.671
Base-Backbone interact. energy: -0.061
local terms energy: -190.241661
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -30.278
tors. eta vs tors. theta energy: -52.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -460.014742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.014742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.014742 (E_RNA)
where:
Base-Base interactions energy: -303.294
where: short stacking energy: -151.577
Base-Backbone interact. energy: -0.622
local terms energy: -156.098468
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -32.597
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -32.035
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: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -464.784459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.784459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.784459 (E_RNA)
where:
Base-Base interactions energy: -298.350
where: short stacking energy: -144.908
Base-Backbone interact. energy: -1.242
local terms energy: -165.192210
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -37.276
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -38.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -412.357508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.357508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.357508 (E_RNA)
where:
Base-Base interactions energy: -262.384
where: short stacking energy: -143.452
Base-Backbone interact. energy: -0.157
local terms energy: -149.816871
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -32.734
flat angles C4'-P-C4' energy: -37.238
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -36.342
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: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -390.647151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.647151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.647151 (E_RNA)
where:
Base-Base interactions energy: -245.629
where: short stacking energy: -131.005
Base-Backbone interact. energy: -0.177
local terms energy: -144.840266
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -33.143
flat angles C4'-P-C4' energy: -33.468
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -33.244
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: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -385.618526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.618526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.618526 (E_RNA)
where:
Base-Base interactions energy: -249.648
where: short stacking energy: -104.701
Base-Backbone interact. energy: 0.761
local terms energy: -136.731813
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: -25.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -313.314566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.314566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.314566 (E_RNA)
where:
Base-Base interactions energy: -197.064
where: short stacking energy: -90.781
Base-Backbone interact. energy: -0.341
local terms energy: -115.909184
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -26.219
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -172.851783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.851783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.851783 (E_RNA)
where:
Base-Base interactions energy: -66.232
where: short stacking energy: -49.778
Base-Backbone interact. energy: -0.672
local terms energy: -105.948086
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: 2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -212.987151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.987151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.987151 (E_RNA)
where:
Base-Base interactions energy: -111.716
where: short stacking energy: -60.196
Base-Backbone interact. energy: 1.440
local terms energy: -102.711351
where:
bonds (distance) C4'-P energy: -29.908
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -560.706136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.706136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.706136 (E_RNA)
where:
Base-Base interactions energy: -365.988
where: short stacking energy: -183.796
Base-Backbone interact. energy: -0.804
local terms energy: -193.914160
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -34.925
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -31.858
tors. eta vs tors. theta energy: -58.039
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: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -542.141570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.141570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.141570 (E_RNA)
where:
Base-Base interactions energy: -355.088
where: short stacking energy: -193.731
Base-Backbone interact. energy: -0.226
local terms energy: -186.827501
where:
bonds (distance) C4'-P energy: -36.439
bonds (distance) P-C4' energy: -30.650
flat angles C4'-P-C4' energy: -34.274
flat angles P-C4'-P energy: -30.601
tors. eta vs tors. theta energy: -54.864
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: 79
Temperature: 1.000000
Total energy: -441.566580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.566580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.566580 (E_RNA)
where:
Base-Base interactions energy: -284.112
where: short stacking energy: -127.532
Base-Backbone interact. energy: 0.018
local terms energy: -157.472666
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -35.582
flat angles C4'-P-C4' energy: -35.906
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -29.472
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: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -469.366569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.366569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.366569 (E_RNA)
where:
Base-Base interactions energy: -312.570
where: short stacking energy: -142.731
Base-Backbone interact. energy: -0.989
local terms energy: -155.807071
where:
bonds (distance) C4'-P energy: -29.997
bonds (distance) P-C4' energy: -30.053
flat angles C4'-P-C4' energy: -34.345
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -41.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -415.929404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.929404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.929404 (E_RNA)
where:
Base-Base interactions energy: -268.898
where: short stacking energy: -127.395
Base-Backbone interact. energy: -0.079
local terms energy: -146.952516
where:
bonds (distance) C4'-P energy: -32.427
bonds (distance) P-C4' energy: -32.961
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -26.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -342.038222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.038222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.038222 (E_RNA)
where:
Base-Base interactions energy: -208.820
where: short stacking energy: -97.102
Base-Backbone interact. energy: -0.526
local terms energy: -132.692258
where:
bonds (distance) C4'-P energy: -30.305
bonds (distance) P-C4' energy: -29.114
flat angles C4'-P-C4' energy: -31.267
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -337.178256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.178256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.178256 (E_RNA)
where:
Base-Base interactions energy: -206.130
where: short stacking energy: -105.482
Base-Backbone interact. energy: -0.440
local terms energy: -130.607991
where:
bonds (distance) C4'-P energy: -33.813
bonds (distance) P-C4' energy: -28.202
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -22.990
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: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -312.628221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.628221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.628221 (E_RNA)
where:
Base-Base interactions energy: -206.931
where: short stacking energy: -82.657
Base-Backbone interact. energy: 1.480
local terms energy: -107.176991
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -215.093160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.093160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.093160 (E_RNA)
where:
Base-Base interactions energy: -98.405
where: short stacking energy: -69.283
Base-Backbone interact. energy: 1.702
local terms energy: -118.390445
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -11.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -235.039561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.039561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.039561 (E_RNA)
where:
Base-Base interactions energy: -124.196
where: short stacking energy: -73.090
Base-Backbone interact. energy: 0.494
local terms energy: -111.337569
where:
bonds (distance) C4'-P energy: -33.660
bonds (distance) P-C4' energy: -29.410
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -549.509032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.509032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.509032 (E_RNA)
where:
Base-Base interactions energy: -365.317
where: short stacking energy: -186.385
Base-Backbone interact. energy: -0.302
local terms energy: -183.890087
where:
bonds (distance) C4'-P energy: -32.020
bonds (distance) P-C4' energy: -34.947
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -53.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -524.026241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.026241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.026241 (E_RNA)
where:
Base-Base interactions energy: -341.735
where: short stacking energy: -175.064
Base-Backbone interact. energy: 0.349
local terms energy: -182.640663
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -37.200
flat angles C4'-P-C4' energy: -39.922
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -48.875
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: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -486.071207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.071207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.071207 (E_RNA)
where:
Base-Base interactions energy: -306.549
where: short stacking energy: -171.126
Base-Backbone interact. energy: -0.300
local terms energy: -179.222592
where:
bonds (distance) C4'-P energy: -34.701
bonds (distance) P-C4' energy: -37.533
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -25.658
tors. eta vs tors. theta energy: -46.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -459.162660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.162660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.162660 (E_RNA)
where:
Base-Base interactions energy: -301.117
where: short stacking energy: -137.966
Base-Backbone interact. energy: -0.378
local terms energy: -157.667416
where:
bonds (distance) C4'-P energy: -35.227
bonds (distance) P-C4' energy: -34.437
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -36.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -393.719493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.719493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.719493 (E_RNA)
where:
Base-Base interactions energy: -246.355
where: short stacking energy: -125.751
Base-Backbone interact. energy: -0.298
local terms energy: -147.066974
where:
bonds (distance) C4'-P energy: -31.592
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -30.515
flat angles P-C4'-P energy: -21.068
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: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -414.859503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.859503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.859503 (E_RNA)
where:
Base-Base interactions energy: -282.513
where: short stacking energy: -148.848
Base-Backbone interact. energy: 0.207
local terms energy: -132.552810
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -32.576
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -336.257795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.257795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.257795 (E_RNA)
where:
Base-Base interactions energy: -198.516
where: short stacking energy: -106.078
Base-Backbone interact. energy: -0.779
local terms energy: -136.962985
where:
bonds (distance) C4'-P energy: -32.567
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -34.548
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -22.603
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: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -327.721994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.721994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.721994 (E_RNA)
where:
Base-Base interactions energy: -196.884
where: short stacking energy: -82.046
Base-Backbone interact. energy: -0.512
local terms energy: -130.326440
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -36.557
flat angles C4'-P-C4' energy: -34.411
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -13.729
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: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -228.350275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.350275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.350275 (E_RNA)
where:
Base-Base interactions energy: -115.857
where: short stacking energy: -63.631
Base-Backbone interact. energy: -1.501
local terms energy: -110.991907
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -34.444
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -5.031
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: 80
Temperature: 1.350000
Total energy: -213.201025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.201025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.201025 (E_RNA)
where:
Base-Base interactions energy: -107.105
where: short stacking energy: -61.691
Base-Backbone interact. energy: -1.340
local terms energy: -104.755331
where:
bonds (distance) C4'-P energy: -26.735
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -28.088
flat angles P-C4'-P energy: -13.523
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: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -551.488974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.488974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.488974 (E_RNA)
where:
Base-Base interactions energy: -370.241
where: short stacking energy: -178.507
Base-Backbone interact. energy: -0.419
local terms energy: -180.828437
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -47.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -535.071493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.071493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.071493 (E_RNA)
where:
Base-Base interactions energy: -350.767
where: short stacking energy: -183.256
Base-Backbone interact. energy: -0.676
local terms energy: -183.628281
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -36.792
flat angles C4'-P-C4' energy: -35.389
flat angles P-C4'-P energy: -28.728
tors. eta vs tors. theta energy: -51.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -483.473554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.473554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.473554 (E_RNA)
where:
Base-Base interactions energy: -316.042
where: short stacking energy: -157.045
Base-Backbone interact. energy: -1.172
local terms energy: -166.259160
where:
bonds (distance) C4'-P energy: -33.403
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -44.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -439.604323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.604323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.604323 (E_RNA)
where:
Base-Base interactions energy: -295.650
where: short stacking energy: -139.179
Base-Backbone interact. energy: -0.282
local terms energy: -143.672141
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -30.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -424.918464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.918464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.918464 (E_RNA)
where:
Base-Base interactions energy: -274.366
where: short stacking energy: -143.877
Base-Backbone interact. energy: -0.375
local terms energy: -150.176893
where:
bonds (distance) C4'-P energy: -29.081
bonds (distance) P-C4' energy: -30.519
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: -35.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -359.947695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.947695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.947695 (E_RNA)
where:
Base-Base interactions energy: -227.252
where: short stacking energy: -125.513
Base-Backbone interact. energy: -0.283
local terms energy: -132.412469
where:
bonds (distance) C4'-P energy: -30.381
bonds (distance) P-C4' energy: -27.339
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -412.651903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.651903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.651903 (E_RNA)
where:
Base-Base interactions energy: -273.142
where: short stacking energy: -131.026
Base-Backbone interact. energy: -0.632
local terms energy: -138.878369
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -28.465
flat angles C4'-P-C4' energy: -32.842
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -25.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -347.542068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.542068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.542068 (E_RNA)
where:
Base-Base interactions energy: -219.972
where: short stacking energy: -97.135
Base-Backbone interact. energy: -1.137
local terms energy: -126.433358
where:
bonds (distance) C4'-P energy: -28.568
bonds (distance) P-C4' energy: -30.133
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -245.733802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.733802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.733802 (E_RNA)
where:
Base-Base interactions energy: -128.039
where: short stacking energy: -74.117
Base-Backbone interact. energy: -0.129
local terms energy: -117.565563
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -28.664
flat angles C4'-P-C4' energy: -31.718
flat angles P-C4'-P energy: -12.978
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: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -224.276564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.276564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.276564 (E_RNA)
where:
Base-Base interactions energy: -111.770
where: short stacking energy: -70.535
Base-Backbone interact. energy: -0.254
local terms energy: -112.252471
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -33.273
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -555.252561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.252561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.252561 (E_RNA)
where:
Base-Base interactions energy: -361.509
where: short stacking energy: -167.058
Base-Backbone interact. energy: -1.400
local terms energy: -192.343563
where:
bonds (distance) C4'-P energy: -38.908
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -41.889
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -47.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -529.625407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.625407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.625407 (E_RNA)
where:
Base-Base interactions energy: -349.995
where: short stacking energy: -171.534
Base-Backbone interact. energy: -0.784
local terms energy: -178.846590
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -37.680
flat angles C4'-P-C4' energy: -38.204
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -49.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -468.786041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.786041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.786041 (E_RNA)
where:
Base-Base interactions energy: -301.033
where: short stacking energy: -156.426
Base-Backbone interact. energy: 2.689
local terms energy: -170.441787
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -31.252
flat angles C4'-P-C4' energy: -37.973
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -38.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -445.473576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.473576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.473576 (E_RNA)
where:
Base-Base interactions energy: -294.491
where: short stacking energy: -134.825
Base-Backbone interact. energy: 0.752
local terms energy: -151.734852
where:
bonds (distance) C4'-P energy: -30.863
bonds (distance) P-C4' energy: -33.447
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -20.589
tors. eta vs tors. theta energy: -32.934
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: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -437.140173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.140173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.140173 (E_RNA)
where:
Base-Base interactions energy: -281.396
where: short stacking energy: -136.600
Base-Backbone interact. energy: -0.295
local terms energy: -155.449762
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -33.295
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: 82
Temperature: 1.150000
Total energy: -390.386250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.386250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.386250 (E_RNA)
where:
Base-Base interactions energy: -252.563
where: short stacking energy: -118.084
Base-Backbone interact. energy: 0.672
local terms energy: -138.494968
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -31.948
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -28.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -398.755891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.755891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.755891 (E_RNA)
where:
Base-Base interactions energy: -250.912
where: short stacking energy: -122.668
Base-Backbone interact. energy: 0.943
local terms energy: -148.787254
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -35.753
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -29.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -329.627431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.627431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.627431 (E_RNA)
where:
Base-Base interactions energy: -205.999
where: short stacking energy: -97.854
Base-Backbone interact. energy: -0.602
local terms energy: -123.026942
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -34.812
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -229.835698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.835698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.835698 (E_RNA)
where:
Base-Base interactions energy: -122.340
where: short stacking energy: -75.713
Base-Backbone interact. energy: -1.258
local terms energy: -106.237160
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -31.080
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -245.574403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.574403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.574403 (E_RNA)
where:
Base-Base interactions energy: -137.534
where: short stacking energy: -74.805
Base-Backbone interact. energy: -0.735
local terms energy: -107.305934
where:
bonds (distance) C4'-P energy: -29.355
bonds (distance) P-C4' energy: -31.812
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -5.466
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: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -561.505857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.505857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.505857 (E_RNA)
where:
Base-Base interactions energy: -369.684
where: short stacking energy: -153.425
Base-Backbone interact. energy: 0.251
local terms energy: -192.072678
where:
bonds (distance) C4'-P energy: -37.002
bonds (distance) P-C4' energy: -32.737
flat angles C4'-P-C4' energy: -42.232
flat angles P-C4'-P energy: -33.799
tors. eta vs tors. theta energy: -46.303
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -519.719179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.719179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.719179 (E_RNA)
where:
Base-Base interactions energy: -339.303
where: short stacking energy: -167.723
Base-Backbone interact. energy: -0.064
local terms energy: -180.352442
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -36.608
flat angles C4'-P-C4' energy: -38.506
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -46.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -476.119506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.119506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.119506 (E_RNA)
where:
Base-Base interactions energy: -303.704
where: short stacking energy: -159.468
Base-Backbone interact. energy: -1.438
local terms energy: -170.976981
where:
bonds (distance) C4'-P energy: -33.868
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -42.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -460.790403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.790403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.790403 (E_RNA)
where:
Base-Base interactions energy: -313.382
where: short stacking energy: -144.324
Base-Backbone interact. energy: -0.718
local terms energy: -146.690290
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -28.353
flat angles C4'-P-C4' energy: -27.797
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -30.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -389.112255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.112255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.112255 (E_RNA)
where:
Base-Base interactions energy: -242.315
where: short stacking energy: -130.736
Base-Backbone interact. energy: -0.465
local terms energy: -146.332783
where:
bonds (distance) C4'-P energy: -38.076
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -37.116
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -430.029827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.029827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.029827 (E_RNA)
where:
Base-Base interactions energy: -272.489
where: short stacking energy: -133.280
Base-Backbone interact. energy: 1.490
local terms energy: -159.030647
where:
bonds (distance) C4'-P energy: -38.110
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -34.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -337.783761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.783761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.783761 (E_RNA)
where:
Base-Base interactions energy: -211.060
where: short stacking energy: -115.208
Base-Backbone interact. energy: -0.159
local terms energy: -126.565252
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -22.650
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: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -278.138838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.138838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.138838 (E_RNA)
where:
Base-Base interactions energy: -150.550
where: short stacking energy: -101.563
Base-Backbone interact. energy: -0.811
local terms energy: -126.778231
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -326.762226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.762226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.762226 (E_RNA)
where:
Base-Base interactions energy: -213.600
where: short stacking energy: -90.112
Base-Backbone interact. energy: -0.288
local terms energy: -112.873844
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -33.037
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -239.598069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.598069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.598069 (E_RNA)
where:
Base-Base interactions energy: -122.785
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.946
local terms energy: -115.867821
where:
bonds (distance) C4'-P energy: -34.836
bonds (distance) P-C4' energy: -27.028
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -558.597400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.597400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.597400 (E_RNA)
where:
Base-Base interactions energy: -375.410
where: short stacking energy: -179.634
Base-Backbone interact. energy: -0.973
local terms energy: -182.214384
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -37.095
flat angles C4'-P-C4' energy: -32.898
flat angles P-C4'-P energy: -27.508
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: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -509.528173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.528173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.528173 (E_RNA)
where:
Base-Base interactions energy: -333.995
where: short stacking energy: -156.447
Base-Backbone interact. energy: -0.271
local terms energy: -175.262458
where:
bonds (distance) C4'-P energy: -36.394
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -37.318
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -42.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -503.523552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.523552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.523552 (E_RNA)
where:
Base-Base interactions energy: -337.933
where: short stacking energy: -170.578
Base-Backbone interact. energy: -1.027
local terms energy: -164.563610
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -36.486
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -42.013
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: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -444.892882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.892882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.892882 (E_RNA)
where:
Base-Base interactions energy: -289.939
where: short stacking energy: -136.213
Base-Backbone interact. energy: -0.632
local terms energy: -154.322000
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -33.216
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -33.080
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: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -429.771809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.771809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.771809 (E_RNA)
where:
Base-Base interactions energy: -278.827
where: short stacking energy: -132.366
Base-Backbone interact. energy: -0.195
local terms energy: -150.749419
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -27.475
tors. eta vs tors. theta energy: -34.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -389.082677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.082677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.082677 (E_RNA)
where:
Base-Base interactions energy: -255.882
where: short stacking energy: -117.540
Base-Backbone interact. energy: -0.121
local terms energy: -133.079261
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -25.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -344.441770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.441770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.441770 (E_RNA)
where:
Base-Base interactions energy: -207.479
where: short stacking energy: -98.010
Base-Backbone interact. energy: -0.601
local terms energy: -136.361538
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -36.012
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -246.763819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.763819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.763819 (E_RNA)
where:
Base-Base interactions energy: -142.636
where: short stacking energy: -86.328
Base-Backbone interact. energy: -0.535
local terms energy: -103.593172
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -31.695
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -12.033
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: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -314.862314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.862314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.862314 (E_RNA)
where:
Base-Base interactions energy: -185.524
where: short stacking energy: -89.226
Base-Backbone interact. energy: -1.074
local terms energy: -128.264825
where:
bonds (distance) C4'-P energy: -31.815
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -25.093
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -18.924
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: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -234.027030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.027030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.027030 (E_RNA)
where:
Base-Base interactions energy: -125.611
where: short stacking energy: -68.402
Base-Backbone interact. energy: -1.224
local terms energy: -107.192561
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -31.737
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -12.640
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: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -562.104127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.104127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.104127 (E_RNA)
where:
Base-Base interactions energy: -374.960
where: short stacking energy: -177.873
Base-Backbone interact. energy: -0.124
local terms energy: -187.020917
where:
bonds (distance) C4'-P energy: -37.074
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -36.557
flat angles P-C4'-P energy: -27.599
tors. eta vs tors. theta energy: -50.865
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -518.373593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.373593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.373593 (E_RNA)
where:
Base-Base interactions energy: -337.862
where: short stacking energy: -153.141
Base-Backbone interact. energy: -0.199
local terms energy: -180.312148
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -40.671
flat angles C4'-P-C4' energy: -35.036
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: -44.732
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: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -480.565120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.565120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.565120 (E_RNA)
where:
Base-Base interactions energy: -299.035
where: short stacking energy: -147.571
Base-Backbone interact. energy: -0.351
local terms energy: -181.178247
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -38.956
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -48.836
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: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -463.642482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.642482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.642482 (E_RNA)
where:
Base-Base interactions energy: -303.850
where: short stacking energy: -132.597
Base-Backbone interact. energy: -0.646
local terms energy: -159.146086
where:
bonds (distance) C4'-P energy: -36.868
bonds (distance) P-C4' energy: -31.165
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -35.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -418.370366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.370366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.370366 (E_RNA)
where:
Base-Base interactions energy: -269.537
where: short stacking energy: -135.744
Base-Backbone interact. energy: -0.635
local terms energy: -148.198946
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -32.923
flat angles C4'-P-C4' energy: -34.179
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -31.265
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: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -399.569780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.569780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.569780 (E_RNA)
where:
Base-Base interactions energy: -259.065
where: short stacking energy: -115.950
Base-Backbone interact. energy: 1.858
local terms energy: -142.362893
where:
bonds (distance) C4'-P energy: -31.285
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -33.604
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -25.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -319.385919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.385919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.385919 (E_RNA)
where:
Base-Base interactions energy: -208.867
where: short stacking energy: -108.457
Base-Backbone interact. energy: 1.053
local terms energy: -111.572237
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -14.771
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: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -334.454781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.454781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.454781 (E_RNA)
where:
Base-Base interactions energy: -206.578
where: short stacking energy: -104.147
Base-Backbone interact. energy: -0.223
local terms energy: -127.653439
where:
bonds (distance) C4'-P energy: -30.026
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -226.102550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.102550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.102550 (E_RNA)
where:
Base-Base interactions energy: -121.042
where: short stacking energy: -78.018
Base-Backbone interact. energy: 0.716
local terms energy: -105.776520
where:
bonds (distance) C4'-P energy: -29.365
bonds (distance) P-C4' energy: -28.091
flat angles C4'-P-C4' energy: -31.126
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -228.885532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.885532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.885532 (E_RNA)
where:
Base-Base interactions energy: -122.143
where: short stacking energy: -66.926
Base-Backbone interact. energy: 0.653
local terms energy: -107.395813
where:
bonds (distance) C4'-P energy: -31.978
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -541.468163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.468163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.468163 (E_RNA)
where:
Base-Base interactions energy: -358.917
where: short stacking energy: -169.275
Base-Backbone interact. energy: -0.271
local terms energy: -182.280151
where:
bonds (distance) C4'-P energy: -30.726
bonds (distance) P-C4' energy: -38.655
flat angles C4'-P-C4' energy: -38.168
flat angles P-C4'-P energy: -25.575
tors. eta vs tors. theta energy: -49.157
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -537.699906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.699906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.699906 (E_RNA)
where:
Base-Base interactions energy: -364.242
where: short stacking energy: -175.038
Base-Backbone interact. energy: -0.476
local terms energy: -172.981939
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -34.640
flat angles C4'-P-C4' energy: -32.993
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: -47.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -474.517651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.517651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.517651 (E_RNA)
where:
Base-Base interactions energy: -310.118
where: short stacking energy: -156.141
Base-Backbone interact. energy: 0.206
local terms energy: -164.605948
where:
bonds (distance) C4'-P energy: -31.387
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -33.788
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -39.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -461.297902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.297902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.297902 (E_RNA)
where:
Base-Base interactions energy: -305.878
where: short stacking energy: -127.467
Base-Backbone interact. energy: -0.128
local terms energy: -155.291665
where:
bonds (distance) C4'-P energy: -36.803
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -30.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -429.926167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.926167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.926167 (E_RNA)
where:
Base-Base interactions energy: -278.527
where: short stacking energy: -139.993
Base-Backbone interact. energy: -0.279
local terms energy: -151.121036
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -32.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -407.787921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.787921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.787921 (E_RNA)
where:
Base-Base interactions energy: -249.427
where: short stacking energy: -129.239
Base-Backbone interact. energy: -1.246
local terms energy: -157.115253
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -32.467
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: -30.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -333.412915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.412915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.412915 (E_RNA)
where:
Base-Base interactions energy: -197.359
where: short stacking energy: -107.400
Base-Backbone interact. energy: -0.833
local terms energy: -135.220611
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -32.168
flat angles C4'-P-C4' energy: -31.895
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -22.176
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: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -341.585273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.585273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.585273 (E_RNA)
where:
Base-Base interactions energy: -207.933
where: short stacking energy: -109.830
Base-Backbone interact. energy: -0.456
local terms energy: -133.196682
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -29.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -223.800276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.800276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.800276 (E_RNA)
where:
Base-Base interactions energy: -119.892
where: short stacking energy: -70.335
Base-Backbone interact. energy: 1.541
local terms energy: -105.449365
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -34.699
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -6.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -186.983055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.983055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.983055 (E_RNA)
where:
Base-Base interactions energy: -83.393
where: short stacking energy: -55.961
Base-Backbone interact. energy: -0.269
local terms energy: -103.320732
where:
bonds (distance) C4'-P energy: -27.539
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: 8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -551.331349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.331349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.331349 (E_RNA)
where:
Base-Base interactions energy: -360.955
where: short stacking energy: -180.603
Base-Backbone interact. energy: 1.752
local terms energy: -192.128735
where:
bonds (distance) C4'-P energy: -35.387
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -38.344
flat angles P-C4'-P energy: -29.380
tors. eta vs tors. theta energy: -52.156
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: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -544.080130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.080130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.080130 (E_RNA)
where:
Base-Base interactions energy: -363.929
where: short stacking energy: -178.822
Base-Backbone interact. energy: -1.127
local terms energy: -179.023989
where:
bonds (distance) C4'-P energy: -28.071
bonds (distance) P-C4' energy: -32.368
flat angles C4'-P-C4' energy: -41.445
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -55.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -483.823957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.823957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.823957 (E_RNA)
where:
Base-Base interactions energy: -320.264
where: short stacking energy: -147.978
Base-Backbone interact. energy: 0.661
local terms energy: -164.220919
where:
bonds (distance) C4'-P energy: -32.402
bonds (distance) P-C4' energy: -33.326
flat angles C4'-P-C4' energy: -36.961
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -38.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -429.362940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.362940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.362940 (E_RNA)
where:
Base-Base interactions energy: -280.646
where: short stacking energy: -116.472
Base-Backbone interact. energy: -1.303
local terms energy: -147.413256
where:
bonds (distance) C4'-P energy: -30.416
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -27.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -408.697471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.697471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.697471 (E_RNA)
where:
Base-Base interactions energy: -256.329
where: short stacking energy: -126.816
Base-Backbone interact. energy: -0.290
local terms energy: -152.079003
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -38.071
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -27.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -407.851224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.851224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.851224 (E_RNA)
where:
Base-Base interactions energy: -266.780
where: short stacking energy: -137.522
Base-Backbone interact. energy: -1.146
local terms energy: -139.925502
where:
bonds (distance) C4'-P energy: -29.244
bonds (distance) P-C4' energy: -31.987
flat angles C4'-P-C4' energy: -32.054
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -32.119
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: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -343.354946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.354946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.354946 (E_RNA)
where:
Base-Base interactions energy: -199.860
where: short stacking energy: -108.328
Base-Backbone interact. energy: -1.087
local terms energy: -142.407098
where:
bonds (distance) C4'-P energy: -39.544
bonds (distance) P-C4' energy: -35.804
flat angles C4'-P-C4' energy: -28.145
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -26.782
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: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -326.850612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.850612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.850612 (E_RNA)
where:
Base-Base interactions energy: -191.062
where: short stacking energy: -97.063
Base-Backbone interact. energy: -0.185
local terms energy: -135.603647
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -30.261
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -222.714212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.714212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.714212 (E_RNA)
where:
Base-Base interactions energy: -112.667
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.380
local terms energy: -109.667256
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -155.143289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.143289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.143289 (E_RNA)
where:
Base-Base interactions energy: -49.965
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.129
local terms energy: -105.048821
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -30.996
flat angles C4'-P-C4' energy: -25.262
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: 0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -557.335501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.335501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.335501 (E_RNA)
where:
Base-Base interactions energy: -367.206
where: short stacking energy: -173.126
Base-Backbone interact. energy: 0.165
local terms energy: -190.295056
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -38.389
flat angles P-C4'-P energy: -27.302
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: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -535.025292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.025292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.025292 (E_RNA)
where:
Base-Base interactions energy: -355.366
where: short stacking energy: -169.653
Base-Backbone interact. energy: -0.581
local terms energy: -179.078373
where:
bonds (distance) C4'-P energy: -37.208
bonds (distance) P-C4' energy: -35.899
flat angles C4'-P-C4' energy: -39.558
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -46.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -485.189626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.189626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.189626 (E_RNA)
where:
Base-Base interactions energy: -323.808
where: short stacking energy: -153.545
Base-Backbone interact. energy: -0.387
local terms energy: -160.994254
where:
bonds (distance) C4'-P energy: -29.740
bonds (distance) P-C4' energy: -31.976
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -26.913
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: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -470.646581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.646581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.646581 (E_RNA)
where:
Base-Base interactions energy: -309.734
where: short stacking energy: -144.463
Base-Backbone interact. energy: -0.917
local terms energy: -159.995321
where:
bonds (distance) C4'-P energy: -40.861
bonds (distance) P-C4' energy: -35.341
flat angles C4'-P-C4' energy: -30.902
flat angles P-C4'-P energy: -18.174
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: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -427.610114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.610114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.610114 (E_RNA)
where:
Base-Base interactions energy: -268.239
where: short stacking energy: -128.833
Base-Backbone interact. energy: -0.752
local terms energy: -158.619039
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -33.367
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -31.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -393.030150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.030150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.030150 (E_RNA)
where:
Base-Base interactions energy: -231.026
where: short stacking energy: -105.375
Base-Backbone interact. energy: -0.283
local terms energy: -161.720872
where:
bonds (distance) C4'-P energy: -40.496
bonds (distance) P-C4' energy: -34.871
flat angles C4'-P-C4' energy: -34.224
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -31.199
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: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -356.560080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.560080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.560080 (E_RNA)
where:
Base-Base interactions energy: -221.317
where: short stacking energy: -116.853
Base-Backbone interact. energy: -0.561
local terms energy: -134.681815
where:
bonds (distance) C4'-P energy: -39.943
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -333.262236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.262236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.262236 (E_RNA)
where:
Base-Base interactions energy: -207.966
where: short stacking energy: -103.781
Base-Backbone interact. energy: -0.484
local terms energy: -124.812001
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -228.073749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.073749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.073749 (E_RNA)
where:
Base-Base interactions energy: -130.932
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.137
local terms energy: -97.005092
where:
bonds (distance) C4'-P energy: -26.375
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -25.326
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -151.926799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.926799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.926799 (E_RNA)
where:
Base-Base interactions energy: -54.655
where: short stacking energy: -43.771
Base-Backbone interact. energy: 1.836
local terms energy: -99.108427
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -0.320
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: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -574.353275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.353275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.353275 (E_RNA)
where:
Base-Base interactions energy: -381.401
where: short stacking energy: -182.678
Base-Backbone interact. energy: -0.888
local terms energy: -192.064961
where:
bonds (distance) C4'-P energy: -35.523
bonds (distance) P-C4' energy: -31.773
flat angles C4'-P-C4' energy: -39.024
flat angles P-C4'-P energy: -29.987
tors. eta vs tors. theta energy: -55.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -527.200045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.200045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.200045 (E_RNA)
where:
Base-Base interactions energy: -349.473
where: short stacking energy: -160.092
Base-Backbone interact. energy: -0.573
local terms energy: -177.153864
where:
bonds (distance) C4'-P energy: -34.941
bonds (distance) P-C4' energy: -35.139
flat angles C4'-P-C4' energy: -40.508
flat angles P-C4'-P energy: -22.245
tors. eta vs tors. theta energy: -44.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -504.057990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.057990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.057990 (E_RNA)
where:
Base-Base interactions energy: -327.241
where: short stacking energy: -163.215
Base-Backbone interact. energy: -0.114
local terms energy: -176.703163
where:
bonds (distance) C4'-P energy: -33.950
bonds (distance) P-C4' energy: -35.494
flat angles C4'-P-C4' energy: -31.350
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -51.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -453.803928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.803928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.803928 (E_RNA)
where:
Base-Base interactions energy: -275.875
where: short stacking energy: -146.872
Base-Backbone interact. energy: 0.867
local terms energy: -178.796098
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -35.442
flat angles C4'-P-C4' energy: -37.459
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: -44.684
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: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -436.675445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.675445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.675445 (E_RNA)
where:
Base-Base interactions energy: -276.008
where: short stacking energy: -136.222
Base-Backbone interact. energy: 0.046
local terms energy: -160.712856
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -33.020
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -29.550
tors. eta vs tors. theta energy: -32.758
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: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -431.364118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.364118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.364118 (E_RNA)
where:
Base-Base interactions energy: -280.196
where: short stacking energy: -136.611
Base-Backbone interact. energy: -0.371
local terms energy: -150.797002
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -37.561
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: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -336.798604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.798604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.798604 (E_RNA)
where:
Base-Base interactions energy: -210.911
where: short stacking energy: -108.185
Base-Backbone interact. energy: -1.018
local terms energy: -124.870017
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -33.092
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -316.837415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.837415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.837415 (E_RNA)
where:
Base-Base interactions energy: -192.047
where: short stacking energy: -85.924
Base-Backbone interact. energy: -0.702
local terms energy: -124.087974
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -27.343
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -231.766428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.766428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.766428 (E_RNA)
where:
Base-Base interactions energy: -124.067
where: short stacking energy: -78.431
Base-Backbone interact. energy: 0.876
local terms energy: -108.575270
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -163.174456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.174456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.174456 (E_RNA)
where:
Base-Base interactions energy: -60.225
where: short stacking energy: -44.310
Base-Backbone interact. energy: -0.452
local terms energy: -102.497175
where:
bonds (distance) C4'-P energy: -28.334
bonds (distance) P-C4' energy: -26.417
flat angles C4'-P-C4' energy: -30.307
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -557.523276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.523276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.523276 (E_RNA)
where:
Base-Base interactions energy: -373.165
where: short stacking energy: -165.158
Base-Backbone interact. energy: -1.946
local terms energy: -182.411643
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -42.985
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -48.163
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: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -516.307593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.307593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.307593 (E_RNA)
where:
Base-Base interactions energy: -342.785
where: short stacking energy: -163.665
Base-Backbone interact. energy: -0.706
local terms energy: -172.816270
where:
bonds (distance) C4'-P energy: -35.802
bonds (distance) P-C4' energy: -34.779
flat angles C4'-P-C4' energy: -30.450
flat angles P-C4'-P energy: -27.342
tors. eta vs tors. theta energy: -44.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -439.195534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.195534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.195534 (E_RNA)
where:
Base-Base interactions energy: -280.372
where: short stacking energy: -140.928
Base-Backbone interact. energy: -0.576
local terms energy: -158.247516
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -32.598
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -39.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -481.620484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.620484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.620484 (E_RNA)
where:
Base-Base interactions energy: -323.879
where: short stacking energy: -160.461
Base-Backbone interact. energy: -0.091
local terms energy: -157.651267
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -31.517
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -37.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -427.751492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.751492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.751492 (E_RNA)
where:
Base-Base interactions energy: -280.014
where: short stacking energy: -115.881
Base-Backbone interact. energy: -0.783
local terms energy: -146.954487
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -33.383
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -417.688387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.688387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.688387 (E_RNA)
where:
Base-Base interactions energy: -264.513
where: short stacking energy: -129.503
Base-Backbone interact. energy: -0.203
local terms energy: -152.971764
where:
bonds (distance) C4'-P energy: -32.146
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -33.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -335.915247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.915247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.915247 (E_RNA)
where:
Base-Base interactions energy: -203.358
where: short stacking energy: -91.542
Base-Backbone interact. energy: -0.901
local terms energy: -131.655543
where:
bonds (distance) C4'-P energy: -33.270
bonds (distance) P-C4' energy: -33.077
flat angles C4'-P-C4' energy: -31.378
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -318.504097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.504097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.504097 (E_RNA)
where:
Base-Base interactions energy: -191.821
where: short stacking energy: -95.641
Base-Backbone interact. energy: 0.327
local terms energy: -127.010088
where:
bonds (distance) C4'-P energy: -25.786
bonds (distance) P-C4' energy: -30.808
flat angles C4'-P-C4' energy: -32.866
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -218.697169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.697169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.697169 (E_RNA)
where:
Base-Base interactions energy: -102.607
where: short stacking energy: -61.310
Base-Backbone interact. energy: 0.053
local terms energy: -116.143376
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -25.089
flat angles P-C4'-P energy: -25.089
tors. eta vs tors. theta energy: -4.054
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: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -166.433313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.433313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.433313 (E_RNA)
where:
Base-Base interactions energy: -62.316
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.487
local terms energy: -103.630501
where:
bonds (distance) C4'-P energy: -33.736
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -7.528
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: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -556.999270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.999270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.999270 (E_RNA)
where:
Base-Base interactions energy: -370.142
where: short stacking energy: -168.853
Base-Backbone interact. energy: 0.756
local terms energy: -187.613651
where:
bonds (distance) C4'-P energy: -33.708
bonds (distance) P-C4' energy: -36.377
flat angles C4'-P-C4' energy: -40.350
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -47.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -531.244077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.244077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.244077 (E_RNA)
where:
Base-Base interactions energy: -363.090
where: short stacking energy: -165.823
Base-Backbone interact. energy: -1.430
local terms energy: -166.723480
where:
bonds (distance) C4'-P energy: -31.876
bonds (distance) P-C4' energy: -35.204
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: -47.010
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: 91
Temperature: 1.000000
Total energy: -460.153781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.153781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.153781 (E_RNA)
where:
Base-Base interactions energy: -289.931
where: short stacking energy: -156.364
Base-Backbone interact. energy: -0.211
local terms energy: -170.012139
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -31.200
flat angles C4'-P-C4' energy: -37.734
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -42.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -472.098106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.098106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.098106 (E_RNA)
where:
Base-Base interactions energy: -301.167
where: short stacking energy: -151.058
Base-Backbone interact. energy: -1.773
local terms energy: -169.158799
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -35.264
flat angles C4'-P-C4' energy: -31.150
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -44.322
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: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -441.857902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.857902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.857902 (E_RNA)
where:
Base-Base interactions energy: -288.686
where: short stacking energy: -137.866
Base-Backbone interact. energy: 0.196
local terms energy: -153.367966
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -36.075
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -29.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -415.748475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.748475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.748475 (E_RNA)
where:
Base-Base interactions energy: -263.151
where: short stacking energy: -137.169
Base-Backbone interact. energy: -0.434
local terms energy: -152.162648
where:
bonds (distance) C4'-P energy: -34.432
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -25.962
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: 7, replica: 8
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -344.757146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.757146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.757146 (E_RNA)
where:
Base-Base interactions energy: -207.177
where: short stacking energy: -110.087
Base-Backbone interact. energy: -0.840
local terms energy: -136.739420
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -34.512
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -26.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -334.714545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.714545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.714545 (E_RNA)
where:
Base-Base interactions energy: -205.526
where: short stacking energy: -110.355
Base-Backbone interact. energy: -1.516
local terms energy: -127.672792
where:
bonds (distance) C4'-P energy: -30.471
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -215.681764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.681764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.681764 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -78.427
Base-Backbone interact. energy: -1.799
local terms energy: -100.019074
where:
bonds (distance) C4'-P energy: -25.961
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -168.271816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.271816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.271816 (E_RNA)
where:
Base-Base interactions energy: -63.151
where: short stacking energy: -63.651
Base-Backbone interact. energy: -0.003
local terms energy: -105.117791
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -37.442
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -0.213
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: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -549.052867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.052867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.052867 (E_RNA)
where:
Base-Base interactions energy: -370.558
where: short stacking energy: -173.441
Base-Backbone interact. energy: -0.622
local terms energy: -177.873265
where:
bonds (distance) C4'-P energy: -34.699
bonds (distance) P-C4' energy: -35.469
flat angles C4'-P-C4' energy: -37.553
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -46.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -538.348757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.348757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.348757 (E_RNA)
where:
Base-Base interactions energy: -364.042
where: short stacking energy: -178.417
Base-Backbone interact. energy: 0.017
local terms energy: -174.323749
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -37.031
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -44.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -469.711633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.711633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.711633 (E_RNA)
where:
Base-Base interactions energy: -297.925
where: short stacking energy: -155.830
Base-Backbone interact. energy: -0.737
local terms energy: -171.049405
where:
bonds (distance) C4'-P energy: -29.073
bonds (distance) P-C4' energy: -34.097
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -26.981
tors. eta vs tors. theta energy: -48.101
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: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -484.041744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.041744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.041744 (E_RNA)
where:
Base-Base interactions energy: -314.189
where: short stacking energy: -165.342
Base-Backbone interact. energy: -0.596
local terms energy: -169.256871
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -29.323
flat angles C4'-P-C4' energy: -39.435
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -47.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -438.062224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.062224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.062224 (E_RNA)
where:
Base-Base interactions energy: -283.123
where: short stacking energy: -143.953
Base-Backbone interact. energy: -0.573
local terms energy: -154.365530
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -37.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -395.918763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.918763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.918763 (E_RNA)
where:
Base-Base interactions energy: -260.431
where: short stacking energy: -111.419
Base-Backbone interact. energy: -0.815
local terms energy: -134.671840
where:
bonds (distance) C4'-P energy: -34.219
bonds (distance) P-C4' energy: -29.420
flat angles C4'-P-C4' energy: -26.603
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -25.222
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: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -333.000560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.000560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.000560 (E_RNA)
where:
Base-Base interactions energy: -198.502
where: short stacking energy: -104.864
Base-Backbone interact. energy: -0.766
local terms energy: -133.732805
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -32.715
flat angles C4'-P-C4' energy: -33.282
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -321.328057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.328057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.328057 (E_RNA)
where:
Base-Base interactions energy: -201.679
where: short stacking energy: -116.346
Base-Backbone interact. energy: -0.289
local terms energy: -119.360225
where:
bonds (distance) C4'-P energy: -26.292
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -21.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -181.909121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.909121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.909121 (E_RNA)
where:
Base-Base interactions energy: -67.622
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.281
local terms energy: -114.005658
where:
bonds (distance) C4'-P energy: -37.545
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -219.302022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.302022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.302022 (E_RNA)
where:
Base-Base interactions energy: -126.625
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.802
local terms energy: -91.874526
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -550.821118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.821118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.821118 (E_RNA)
where:
Base-Base interactions energy: -370.149
where: short stacking energy: -177.445
Base-Backbone interact. energy: 1.367
local terms energy: -182.039555
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -38.035
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -47.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -522.740003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.740003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.740003 (E_RNA)
where:
Base-Base interactions energy: -355.565
where: short stacking energy: -167.809
Base-Backbone interact. energy: 0.039
local terms energy: -167.213676
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -25.303
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: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -455.950620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.950620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.950620 (E_RNA)
where:
Base-Base interactions energy: -283.833
where: short stacking energy: -150.565
Base-Backbone interact. energy: -0.118
local terms energy: -171.999380
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -35.885
flat angles P-C4'-P energy: -24.762
tors. eta vs tors. theta energy: -43.223
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: 93
Temperature: 1.050000
Total energy: -458.110084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.110084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.110084 (E_RNA)
where:
Base-Base interactions energy: -291.650
where: short stacking energy: -146.454
Base-Backbone interact. energy: 1.761
local terms energy: -168.221173
where:
bonds (distance) C4'-P energy: -32.883
bonds (distance) P-C4' energy: -32.732
flat angles C4'-P-C4' energy: -39.349
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -37.528
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: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -485.752506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.752506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.752506 (E_RNA)
where:
Base-Base interactions energy: -313.373
where: short stacking energy: -150.872
Base-Backbone interact. energy: 0.104
local terms energy: -172.483619
where:
bonds (distance) C4'-P energy: -37.027
bonds (distance) P-C4' energy: -34.675
flat angles C4'-P-C4' energy: -38.252
flat angles P-C4'-P energy: -18.553
tors. eta vs tors. theta energy: -43.977
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: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -381.542647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.542647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.542647 (E_RNA)
where:
Base-Base interactions energy: -240.750
where: short stacking energy: -110.705
Base-Backbone interact. energy: -0.645
local terms energy: -140.147773
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -338.758120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.758120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.758120 (E_RNA)
where:
Base-Base interactions energy: -201.543
where: short stacking energy: -95.762
Base-Backbone interact. energy: -0.559
local terms energy: -136.656165
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -35.422
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -189.351257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.351257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.351257 (E_RNA)
where:
Base-Base interactions energy: -85.082
where: short stacking energy: -80.287
Base-Backbone interact. energy: 0.106
local terms energy: -104.375212
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -304.478699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.478699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.478699 (E_RNA)
where:
Base-Base interactions energy: -191.261
where: short stacking energy: -85.810
Base-Backbone interact. energy: -0.777
local terms energy: -112.440528
where:
bonds (distance) C4'-P energy: -24.828
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: -9.830
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: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -204.715675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.715675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.715675 (E_RNA)
where:
Base-Base interactions energy: -107.194
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.416
local terms energy: -97.105022
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: 1.522
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: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -536.590459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.590459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.590459 (E_RNA)
where:
Base-Base interactions energy: -343.066
where: short stacking energy: -166.907
Base-Backbone interact. energy: -0.120
local terms energy: -193.404512
where:
bonds (distance) C4'-P energy: -35.877
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -42.954
flat angles P-C4'-P energy: -31.612
tors. eta vs tors. theta energy: -46.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -546.418616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.418616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.418616 (E_RNA)
where:
Base-Base interactions energy: -370.189
where: short stacking energy: -174.626
Base-Backbone interact. energy: -0.105
local terms energy: -176.124206
where:
bonds (distance) C4'-P energy: -30.643
bonds (distance) P-C4' energy: -37.919
flat angles C4'-P-C4' energy: -35.877
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -46.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -476.375749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.375749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.375749 (E_RNA)
where:
Base-Base interactions energy: -305.262
where: short stacking energy: -158.723
Base-Backbone interact. energy: -0.198
local terms energy: -170.915192
where:
bonds (distance) C4'-P energy: -32.474
bonds (distance) P-C4' energy: -34.616
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -40.134
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: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -443.138350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.138350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.138350 (E_RNA)
where:
Base-Base interactions energy: -285.999
where: short stacking energy: -160.964
Base-Backbone interact. energy: -0.203
local terms energy: -156.936199
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -41.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -455.732356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.732356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.732356 (E_RNA)
where:
Base-Base interactions energy: -301.213
where: short stacking energy: -141.822
Base-Backbone interact. energy: -0.089
local terms energy: -154.429660
where:
bonds (distance) C4'-P energy: -34.730
bonds (distance) P-C4' energy: -30.455
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: -33.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -425.086177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.086177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.086177 (E_RNA)
where:
Base-Base interactions energy: -276.655
where: short stacking energy: -137.152
Base-Backbone interact. energy: -0.722
local terms energy: -147.709727
where:
bonds (distance) C4'-P energy: -29.634
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -34.235
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -30.975
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: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -335.010006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.010006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.010006 (E_RNA)
where:
Base-Base interactions energy: -202.210
where: short stacking energy: -116.265
Base-Backbone interact. energy: 2.383
local terms energy: -135.183112
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -23.621
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: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -190.699092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.699092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.699092 (E_RNA)
where:
Base-Base interactions energy: -68.891
where: short stacking energy: -67.897
Base-Backbone interact. energy: 1.457
local terms energy: -123.264733
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -14.488
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: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -226.118003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.118003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.118003 (E_RNA)
where:
Base-Base interactions energy: -117.371
where: short stacking energy: -62.114
Base-Backbone interact. energy: -1.568
local terms energy: -107.178419
where:
bonds (distance) C4'-P energy: -29.064
bonds (distance) P-C4' energy: -30.239
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -231.289059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.289059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.289059 (E_RNA)
where:
Base-Base interactions energy: -123.816
where: short stacking energy: -73.846
Base-Backbone interact. energy: 0.489
local terms energy: -107.961814
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -28.172
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -8.544
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: 95
Temperature: 0.900000
Total energy: -532.458878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.458878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.458878 (E_RNA)
where:
Base-Base interactions energy: -359.085
where: short stacking energy: -163.339
Base-Backbone interact. energy: -1.549
local terms energy: -171.824709
where:
bonds (distance) C4'-P energy: -37.083
bonds (distance) P-C4' energy: -33.831
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -20.470
tors. eta vs tors. theta energy: -42.685
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: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -557.831805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.831805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.831805 (E_RNA)
where:
Base-Base interactions energy: -373.772
where: short stacking energy: -174.039
Base-Backbone interact. energy: -0.555
local terms energy: -183.504888
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -23.195
tors. eta vs tors. theta energy: -45.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -465.418651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.418651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.418651 (E_RNA)
where:
Base-Base interactions energy: -297.862
where: short stacking energy: -154.221
Base-Backbone interact. energy: -0.321
local terms energy: -167.235576
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -496.690289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.690289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.690289 (E_RNA)
where:
Base-Base interactions energy: -336.280
where: short stacking energy: -167.551
Base-Backbone interact. energy: -0.156
local terms energy: -160.253567
where:
bonds (distance) C4'-P energy: -25.403
bonds (distance) P-C4' energy: -30.297
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -24.675
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: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -429.903334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.903334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.903334 (E_RNA)
where:
Base-Base interactions energy: -274.133
where: short stacking energy: -135.850
Base-Backbone interact. energy: 2.031
local terms energy: -157.801282
where:
bonds (distance) C4'-P energy: -37.367
bonds (distance) P-C4' energy: -30.761
flat angles C4'-P-C4' energy: -38.933
flat angles P-C4'-P energy: -19.387
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: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -429.084644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.084644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.084644 (E_RNA)
where:
Base-Base interactions energy: -283.606
where: short stacking energy: -136.546
Base-Backbone interact. energy: -0.159
local terms energy: -145.319937
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -33.124
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -32.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -325.669288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.669288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.669288 (E_RNA)
where:
Base-Base interactions energy: -197.541
where: short stacking energy: -100.766
Base-Backbone interact. energy: -0.916
local terms energy: -127.212321
where:
bonds (distance) C4'-P energy: -36.976
bonds (distance) P-C4' energy: -29.154
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -252.494062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.494062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.494062 (E_RNA)
where:
Base-Base interactions energy: -132.231
where: short stacking energy: -79.690
Base-Backbone interact. energy: -0.342
local terms energy: -119.921242
where:
bonds (distance) C4'-P energy: -34.686
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -10.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -173.975130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.975130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.975130 (E_RNA)
where:
Base-Base interactions energy: -67.565
where: short stacking energy: -65.910
Base-Backbone interact. energy: -0.341
local terms energy: -106.068906
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -34.241
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: -4.199
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: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -228.127897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.127897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.127897 (E_RNA)
where:
Base-Base interactions energy: -110.159
where: short stacking energy: -53.693
Base-Backbone interact. energy: 2.495
local terms energy: -120.464017
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -27.474
flat angles C4'-P-C4' energy: -29.115
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -9.462
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: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -560.876082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.876082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.876082 (E_RNA)
where:
Base-Base interactions energy: -381.852
where: short stacking energy: -181.338
Base-Backbone interact. energy: -0.465
local terms energy: -178.559310
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -27.876
flat angles C4'-P-C4' energy: -40.920
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -48.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -535.787425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.787425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.787425 (E_RNA)
where:
Base-Base interactions energy: -357.313
where: short stacking energy: -165.371
Base-Backbone interact. energy: -0.490
local terms energy: -177.984582
where:
bonds (distance) C4'-P energy: -39.795
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -19.664
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: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -512.706732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.706732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.706732 (E_RNA)
where:
Base-Base interactions energy: -329.112
where: short stacking energy: -168.709
Base-Backbone interact. energy: -0.087
local terms energy: -183.507782
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -41.936
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -44.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -463.874904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.874904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.874904 (E_RNA)
where:
Base-Base interactions energy: -293.397
where: short stacking energy: -164.420
Base-Backbone interact. energy: -0.381
local terms energy: -170.096213
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -35.159
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -43.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -420.711420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.711420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.711420 (E_RNA)
where:
Base-Base interactions energy: -270.203
where: short stacking energy: -114.930
Base-Backbone interact. energy: -0.880
local terms energy: -149.628702
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -32.639
flat angles C4'-P-C4' energy: -37.728
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -28.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -434.174492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.174492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.174492 (E_RNA)
where:
Base-Base interactions energy: -281.983
where: short stacking energy: -119.215
Base-Backbone interact. energy: 1.003
local terms energy: -153.194070
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -36.756
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -24.431
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -318.442673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.442673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.442673 (E_RNA)
where:
Base-Base interactions energy: -190.145
where: short stacking energy: -96.199
Base-Backbone interact. energy: -1.473
local terms energy: -126.824189
where:
bonds (distance) C4'-P energy: -33.157
bonds (distance) P-C4' energy: -31.338
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -25.499
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -238.494544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.494544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.494544 (E_RNA)
where:
Base-Base interactions energy: -118.093
where: short stacking energy: -71.583
Base-Backbone interact. energy: -0.178
local terms energy: -120.223354
where:
bonds (distance) C4'-P energy: -27.866
bonds (distance) P-C4' energy: -35.934
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -11.225
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: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -247.060191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.060191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.060191 (E_RNA)
where:
Base-Base interactions energy: -129.810
where: short stacking energy: -77.817
Base-Backbone interact. energy: -0.710
local terms energy: -116.539738
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -177.912354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.912354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.912354 (E_RNA)
where:
Base-Base interactions energy: -66.905
where: short stacking energy: -60.606
Base-Backbone interact. energy: -0.631
local terms energy: -110.375967
where:
bonds (distance) C4'-P energy: -23.135
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -33.971
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -8.508
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: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -556.145749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.145749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.145749 (E_RNA)
where:
Base-Base interactions energy: -386.109
where: short stacking energy: -171.206
Base-Backbone interact. energy: 0.001
local terms energy: -170.037581
where:
bonds (distance) C4'-P energy: -31.541
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -42.055
flat angles P-C4'-P energy: -23.261
tors. eta vs tors. theta energy: -43.742
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: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -479.988845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.988845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.988845 (E_RNA)
where:
Base-Base interactions energy: -311.872
where: short stacking energy: -156.598
Base-Backbone interact. energy: -0.573
local terms energy: -167.543989
where:
bonds (distance) C4'-P energy: -34.397
bonds (distance) P-C4' energy: -35.578
flat angles C4'-P-C4' energy: -38.487
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -34.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -509.888932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.888932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.888932 (E_RNA)
where:
Base-Base interactions energy: -350.527
where: short stacking energy: -165.529
Base-Backbone interact. energy: 3.134
local terms energy: -162.496201
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -43.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -430.994123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.994123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.994123 (E_RNA)
where:
Base-Base interactions energy: -266.372
where: short stacking energy: -137.931
Base-Backbone interact. energy: -0.946
local terms energy: -163.675957
where:
bonds (distance) C4'-P energy: -29.714
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -36.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -431.546688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.546688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.546688 (E_RNA)
where:
Base-Base interactions energy: -279.843
where: short stacking energy: -138.452
Base-Backbone interact. energy: 0.287
local terms energy: -151.989974
where:
bonds (distance) C4'-P energy: -28.618
bonds (distance) P-C4' energy: -24.436
flat angles C4'-P-C4' energy: -37.397
flat angles P-C4'-P energy: -24.847
tors. eta vs tors. theta energy: -36.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -417.977309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.977309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.977309 (E_RNA)
where:
Base-Base interactions energy: -283.155
where: short stacking energy: -124.536
Base-Backbone interact. energy: -0.481
local terms energy: -134.340937
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -30.694
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -339.281452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.281452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.281452 (E_RNA)
where:
Base-Base interactions energy: -219.585
where: short stacking energy: -104.127
Base-Backbone interact. energy: -0.196
local terms energy: -119.500771
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -36.661
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -243.970124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.970124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.970124 (E_RNA)
where:
Base-Base interactions energy: -136.179
where: short stacking energy: -76.729
Base-Backbone interact. energy: -0.510
local terms energy: -107.280714
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -30.927
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -226.349629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.349629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.349629 (E_RNA)
where:
Base-Base interactions energy: -126.624
where: short stacking energy: -79.904
Base-Backbone interact. energy: 0.405
local terms energy: -100.130445
where:
bonds (distance) C4'-P energy: -27.912
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -170.945409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.945409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.945409 (E_RNA)
where:
Base-Base interactions energy: -75.636
where: short stacking energy: -50.949
Base-Backbone interact. energy: 0.914
local terms energy: -96.224390
where:
bonds (distance) C4'-P energy: -25.175
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -18.313
tors. eta vs tors. theta energy: 3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -572.153742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.153742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.153742 (E_RNA)
where:
Base-Base interactions energy: -387.757
where: short stacking energy: -176.971
Base-Backbone interact. energy: -1.329
local terms energy: -183.067893
where:
bonds (distance) C4'-P energy: -34.109
bonds (distance) P-C4' energy: -35.130
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -25.158
tors. eta vs tors. theta energy: -49.562
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: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -502.967888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.967888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.967888 (E_RNA)
where:
Base-Base interactions energy: -323.252
where: short stacking energy: -169.563
Base-Backbone interact. energy: -0.041
local terms energy: -179.674396
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -33.353
tors. eta vs tors. theta energy: -43.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -524.518145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.518145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.518145 (E_RNA)
where:
Base-Base interactions energy: -348.014
where: short stacking energy: -178.170
Base-Backbone interact. energy: -0.371
local terms energy: -176.133897
where:
bonds (distance) C4'-P energy: -38.199
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -26.622
tors. eta vs tors. theta energy: -48.008
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: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -427.538466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.538466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.538466 (E_RNA)
where:
Base-Base interactions energy: -257.277
where: short stacking energy: -132.330
Base-Backbone interact. energy: -0.170
local terms energy: -170.092392
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -37.229
flat angles P-C4'-P energy: -28.279
tors. eta vs tors. theta energy: -37.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -427.086291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.086291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.086291 (E_RNA)
where:
Base-Base interactions energy: -265.747
where: short stacking energy: -138.952
Base-Backbone interact. energy: -0.571
local terms energy: -160.768045
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -31.711
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -39.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -416.518640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.518640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.518640 (E_RNA)
where:
Base-Base interactions energy: -264.462
where: short stacking energy: -110.790
Base-Backbone interact. energy: -0.726
local terms energy: -151.331259
where:
bonds (distance) C4'-P energy: -36.673
bonds (distance) P-C4' energy: -39.950
flat angles C4'-P-C4' energy: -26.671
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -21.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -345.039765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.039765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.039765 (E_RNA)
where:
Base-Base interactions energy: -223.024
where: short stacking energy: -91.322
Base-Backbone interact. energy: 0.370
local terms energy: -122.385735
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -35.881
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -16.472
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: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -262.613510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.613510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.613510 (E_RNA)
where:
Base-Base interactions energy: -134.609
where: short stacking energy: -81.019
Base-Backbone interact. energy: -0.095
local terms energy: -127.909365
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -31.379
flat angles C4'-P-C4' energy: -32.457
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -228.402768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.402768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.402768 (E_RNA)
where:
Base-Base interactions energy: -114.523
where: short stacking energy: -72.814
Base-Backbone interact. energy: -1.025
local terms energy: -112.854478
where:
bonds (distance) C4'-P energy: -30.959
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -8.878
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: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -164.363301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.363301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.363301 (E_RNA)
where:
Base-Base interactions energy: -64.384
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.628
local terms energy: -99.351544
where:
bonds (distance) C4'-P energy: -27.062
bonds (distance) P-C4' energy: -27.813
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: 0.548
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: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -568.270442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.270442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.270442 (E_RNA)
where:
Base-Base interactions energy: -393.846
where: short stacking energy: -191.004
Base-Backbone interact. energy: -0.377
local terms energy: -174.046971
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -34.832
flat angles C4'-P-C4' energy: -37.663
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -51.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -520.003402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.003402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.003402 (E_RNA)
where:
Base-Base interactions energy: -343.200
where: short stacking energy: -165.482
Base-Backbone interact. energy: 0.423
local terms energy: -177.226552
where:
bonds (distance) C4'-P energy: -35.664
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -27.024
tors. eta vs tors. theta energy: -47.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -487.198522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.198522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.198522 (E_RNA)
where:
Base-Base interactions energy: -310.415
where: short stacking energy: -154.671
Base-Backbone interact. energy: -0.138
local terms energy: -176.644989
where:
bonds (distance) C4'-P energy: -34.574
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -41.649
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: 99
Temperature: 1.050000
Total energy: -468.818454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.818454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.818454 (E_RNA)
where:
Base-Base interactions energy: -299.674
where: short stacking energy: -151.918
Base-Backbone interact. energy: 1.178
local terms energy: -170.322886
where:
bonds (distance) C4'-P energy: -31.575
bonds (distance) P-C4' energy: -37.905
flat angles C4'-P-C4' energy: -38.040
flat angles P-C4'-P energy: -22.948
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: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -451.786956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.786956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.786956 (E_RNA)
where:
Base-Base interactions energy: -282.952
where: short stacking energy: -158.124
Base-Backbone interact. energy: -0.402
local terms energy: -168.432193
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -37.309
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -45.680
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: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -399.201856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.201856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.201856 (E_RNA)
where:
Base-Base interactions energy: -265.583
where: short stacking energy: -119.072
Base-Backbone interact. energy: -0.543
local terms energy: -133.075829
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -27.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -342.065293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.065293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.065293 (E_RNA)
where:
Base-Base interactions energy: -218.289
where: short stacking energy: -108.805
Base-Backbone interact. energy: 0.545
local terms energy: -124.321154
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -38.912
flat angles P-C4'-P energy: -13.710
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: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -245.050267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.050267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.050267 (E_RNA)
where:
Base-Base interactions energy: -133.081
where: short stacking energy: -81.507
Base-Backbone interact. energy: -0.404
local terms energy: -111.564728
where:
bonds (distance) C4'-P energy: -26.400
bonds (distance) P-C4' energy: -32.451
flat angles C4'-P-C4' energy: -30.707
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -10.182
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: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -250.948179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.948179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.948179 (E_RNA)
where:
Base-Base interactions energy: -129.975
where: short stacking energy: -74.910
Base-Backbone interact. energy: -0.267
local terms energy: -120.706612
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -34.083
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -211.674355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.674355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.674355 (E_RNA)
where:
Base-Base interactions energy: -116.381
where: short stacking energy: -59.976
Base-Backbone interact. energy: -1.554
local terms energy: -93.739117
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -36.168
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -0.892
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: 100
Temperature: 0.900000
Total energy: -538.635259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.635259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.635259 (E_RNA)
where:
Base-Base interactions energy: -362.355
where: short stacking energy: -153.992
Base-Backbone interact. energy: -0.638
local terms energy: -175.641778
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -40.590
flat angles C4'-P-C4' energy: -37.854
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -554.848191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.848191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.848191 (E_RNA)
where:
Base-Base interactions energy: -375.427
where: short stacking energy: -180.492
Base-Backbone interact. energy: -0.143
local terms energy: -179.278808
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -33.584
flat angles C4'-P-C4' energy: -36.614
flat angles P-C4'-P energy: -25.463
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -476.597773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.597773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.597773 (E_RNA)
where:
Base-Base interactions energy: -300.586
where: short stacking energy: -169.605
Base-Backbone interact. energy: 0.249
local terms energy: -176.261025
where:
bonds (distance) C4'-P energy: -27.762
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -49.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -460.845179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.845179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.845179 (E_RNA)
where:
Base-Base interactions energy: -299.517
where: short stacking energy: -145.624
Base-Backbone interact. energy: -0.635
local terms energy: -160.693227
where:
bonds (distance) C4'-P energy: -31.244
bonds (distance) P-C4' energy: -41.203
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -40.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -427.825739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.825739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.825739 (E_RNA)
where:
Base-Base interactions energy: -277.799
where: short stacking energy: -137.796
Base-Backbone interact. energy: -0.206
local terms energy: -149.820655
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -32.573
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -36.818
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: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -380.689403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.689403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.689403 (E_RNA)
where:
Base-Base interactions energy: -252.153
where: short stacking energy: -109.007
Base-Backbone interact. energy: 0.274
local terms energy: -128.810496
where:
bonds (distance) C4'-P energy: -22.005
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -35.480
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -353.136301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.136301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.136301 (E_RNA)
where:
Base-Base interactions energy: -221.390
where: short stacking energy: -123.194
Base-Backbone interact. energy: -1.054
local terms energy: -130.692719
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -25.311
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -28.638
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: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -256.727445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.727445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.727445 (E_RNA)
where:
Base-Base interactions energy: -132.580
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.099
local terms energy: -124.049304
where:
bonds (distance) C4'-P energy: -38.378
bonds (distance) P-C4' energy: -35.427
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -18.343
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: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -228.262741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.262741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.262741 (E_RNA)
where:
Base-Base interactions energy: -126.491
where: short stacking energy: -63.500
Base-Backbone interact. energy: 6.014
local terms energy: -107.784851
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -29.628
flat angles C4'-P-C4' energy: -27.433
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -236.465741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.465741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.465741 (E_RNA)
where:
Base-Base interactions energy: -121.877
where: short stacking energy: -72.880
Base-Backbone interact. energy: -0.279
local terms energy: -114.310280
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -13.050
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: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -536.759512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.759512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.759512 (E_RNA)
where:
Base-Base interactions energy: -362.088
where: short stacking energy: -157.762
Base-Backbone interact. energy: 0.440
local terms energy: -175.112006
where:
bonds (distance) C4'-P energy: -33.351
bonds (distance) P-C4' energy: -39.845
flat angles C4'-P-C4' energy: -36.923
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -40.692
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: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -555.618763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.618763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.618763 (E_RNA)
where:
Base-Base interactions energy: -379.929
where: short stacking energy: -175.850
Base-Backbone interact. energy: -1.601
local terms energy: -174.088201
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -33.239
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -28.285
tors. eta vs tors. theta energy: -43.646
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: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -464.227126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.227126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.227126 (E_RNA)
where:
Base-Base interactions energy: -296.962
where: short stacking energy: -134.398
Base-Backbone interact. energy: -0.541
local terms energy: -166.724586
where:
bonds (distance) C4'-P energy: -34.804
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -37.051
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: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -486.382555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.382555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.382555 (E_RNA)
where:
Base-Base interactions energy: -324.054
where: short stacking energy: -151.920
Base-Backbone interact. energy: 0.792
local terms energy: -163.120554
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -28.825
tors. eta vs tors. theta energy: -37.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -432.520202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.520202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.520202 (E_RNA)
where:
Base-Base interactions energy: -281.795
where: short stacking energy: -138.699
Base-Backbone interact. energy: -0.647
local terms energy: -150.077951
where:
bonds (distance) C4'-P energy: -32.211
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -33.531
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -35.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -391.932599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.932599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.932599 (E_RNA)
where:
Base-Base interactions energy: -257.828
where: short stacking energy: -109.947
Base-Backbone interact. energy: -0.541
local terms energy: -133.563927
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -34.363
flat angles C4'-P-C4' energy: -32.072
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -17.166
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: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -356.882705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.882705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.882705 (E_RNA)
where:
Base-Base interactions energy: -231.708
where: short stacking energy: -107.742
Base-Backbone interact. energy: -0.407
local terms energy: -124.767935
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -28.202
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -21.101
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: 101
Temperature: 1.250000
Total energy: -250.835485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.835485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.835485 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -81.416
Base-Backbone interact. energy: -0.226
local terms energy: -122.791844
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -235.385435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.385435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.385435 (E_RNA)
where:
Base-Base interactions energy: -108.831
where: short stacking energy: -65.597
Base-Backbone interact. energy: -0.630
local terms energy: -125.924453
where:
bonds (distance) C4'-P energy: -29.816
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -31.333
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -5.571
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: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -210.004370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.004370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.004370 (E_RNA)
where:
Base-Base interactions energy: -120.536
where: short stacking energy: -63.205
Base-Backbone interact. energy: -0.422
local terms energy: -89.046268
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: 2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -566.142857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.142857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.142857 (E_RNA)
where:
Base-Base interactions energy: -374.347
where: short stacking energy: -183.892
Base-Backbone interact. energy: -1.271
local terms energy: -190.525173
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -39.226
flat angles C4'-P-C4' energy: -38.318
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -51.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -520.801890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.801890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.801890 (E_RNA)
where:
Base-Base interactions energy: -353.523
where: short stacking energy: -155.509
Base-Backbone interact. energy: -0.729
local terms energy: -166.549932
where:
bonds (distance) C4'-P energy: -36.062
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -40.920
flat angles P-C4'-P energy: -27.695
tors. eta vs tors. theta energy: -35.296
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: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -479.711993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.711993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.711993 (E_RNA)
where:
Base-Base interactions energy: -304.504
where: short stacking energy: -164.575
Base-Backbone interact. energy: -0.489
local terms energy: -174.718292
where:
bonds (distance) C4'-P energy: -33.698
bonds (distance) P-C4' energy: -30.671
flat angles C4'-P-C4' energy: -38.746
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -45.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -473.099301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.099301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.099301 (E_RNA)
where:
Base-Base interactions energy: -301.517
where: short stacking energy: -156.294
Base-Backbone interact. energy: -0.360
local terms energy: -171.222364
where:
bonds (distance) C4'-P energy: -32.011
bonds (distance) P-C4' energy: -39.332
flat angles C4'-P-C4' energy: -37.804
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -40.790
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: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -416.247363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.247363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.247363 (E_RNA)
where:
Base-Base interactions energy: -272.240
where: short stacking energy: -113.253
Base-Backbone interact. energy: 1.770
local terms energy: -145.777765
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -36.601
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -26.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -394.334078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.334078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.334078 (E_RNA)
where:
Base-Base interactions energy: -252.664
where: short stacking energy: -131.727
Base-Backbone interact. energy: -0.459
local terms energy: -141.211077
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -28.406
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -37.273
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: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -343.817444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.817444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.817444 (E_RNA)
where:
Base-Base interactions energy: -216.499
where: short stacking energy: -94.574
Base-Backbone interact. energy: -0.429
local terms energy: -126.889358
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -27.614
flat angles C4'-P-C4' energy: -38.733
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -241.844172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.844172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.844172 (E_RNA)
where:
Base-Base interactions energy: -115.575
where: short stacking energy: -71.809
Base-Backbone interact. energy: -0.743
local terms energy: -125.526186
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -37.056
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -20.295
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: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -250.177558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.177558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.177558 (E_RNA)
where:
Base-Base interactions energy: -125.107
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.418
local terms energy: -124.653216
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -30.027
flat angles C4'-P-C4' energy: -26.484
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -161.004335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.004335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.004335 (E_RNA)
where:
Base-Base interactions energy: -75.096
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.448
local terms energy: -85.460279
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: 3.368
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: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -547.571763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.571763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.571763 (E_RNA)
where:
Base-Base interactions energy: -363.656
where: short stacking energy: -166.978
Base-Backbone interact. energy: 1.754
local terms energy: -185.669808
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -38.283
flat angles C4'-P-C4' energy: -39.680
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -48.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -524.720059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.720059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.720059 (E_RNA)
where:
Base-Base interactions energy: -350.610
where: short stacking energy: -162.193
Base-Backbone interact. energy: -0.395
local terms energy: -173.715430
where:
bonds (distance) C4'-P energy: -35.057
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -28.308
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: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -470.463663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.463663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.463663 (E_RNA)
where:
Base-Base interactions energy: -305.179
where: short stacking energy: -161.132
Base-Backbone interact. energy: -0.008
local terms energy: -165.276184
where:
bonds (distance) C4'-P energy: -31.627
bonds (distance) P-C4' energy: -34.972
flat angles C4'-P-C4' energy: -28.954
flat angles P-C4'-P energy: -28.773
tors. eta vs tors. theta energy: -40.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -463.264729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.264729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.264729 (E_RNA)
where:
Base-Base interactions energy: -309.862
where: short stacking energy: -140.230
Base-Backbone interact. energy: -0.348
local terms energy: -153.054538
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -35.530
flat angles C4'-P-C4' energy: -35.137
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -30.532
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: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -456.630492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.630492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.630492 (E_RNA)
where:
Base-Base interactions energy: -308.570
where: short stacking energy: -145.208
Base-Backbone interact. energy: -0.278
local terms energy: -147.782518
where:
bonds (distance) C4'-P energy: -34.555
bonds (distance) P-C4' energy: -29.115
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -33.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -411.737622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.737622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.737622 (E_RNA)
where:
Base-Base interactions energy: -252.930
where: short stacking energy: -124.674
Base-Backbone interact. energy: 1.505
local terms energy: -160.312379
where:
bonds (distance) C4'-P energy: -34.070
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -38.575
flat angles P-C4'-P energy: -19.849
tors. eta vs tors. theta energy: -30.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -340.144145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.144145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.144145 (E_RNA)
where:
Base-Base interactions energy: -200.704
where: short stacking energy: -85.588
Base-Backbone interact. energy: 2.319
local terms energy: -141.758860
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -33.746
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -23.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -248.808080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.808080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.808080 (E_RNA)
where:
Base-Base interactions energy: -139.950
where: short stacking energy: -98.458
Base-Backbone interact. energy: 5.517
local terms energy: -114.374977
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -38.300
flat angles C4'-P-C4' energy: -29.853
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -11.165
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: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -233.156820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.156820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.156820 (E_RNA)
where:
Base-Base interactions energy: -134.569
where: short stacking energy: -77.063
Base-Backbone interact. energy: 1.046
local terms energy: -99.634218
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -27.852
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -170.148163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.148163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.148163 (E_RNA)
where:
Base-Base interactions energy: -60.324
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.707
local terms energy: -109.117016
where:
bonds (distance) C4'-P energy: -29.509
bonds (distance) P-C4' energy: -32.519
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -6.309
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: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -538.195313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.195313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.195313 (E_RNA)
where:
Base-Base interactions energy: -359.035
where: short stacking energy: -160.199
Base-Backbone interact. energy: -0.537
local terms energy: -178.623767
where:
bonds (distance) C4'-P energy: -35.611
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -36.171
flat angles P-C4'-P energy: -27.126
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: 104
Temperature: 0.950000
Total energy: -512.094496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.094496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.094496 (E_RNA)
where:
Base-Base interactions energy: -340.011
where: short stacking energy: -151.655
Base-Backbone interact. energy: -0.201
local terms energy: -171.882985
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -38.199
flat angles C4'-P-C4' energy: -36.074
flat angles P-C4'-P energy: -28.010
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: 3, replica: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -495.671215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.671215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.671215 (E_RNA)
where:
Base-Base interactions energy: -335.159
where: short stacking energy: -144.052
Base-Backbone interact. energy: -0.471
local terms energy: -160.041265
where:
bonds (distance) C4'-P energy: -35.084
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -39.360
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -38.079
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: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -449.564280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.564280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.564280 (E_RNA)
where:
Base-Base interactions energy: -293.652
where: short stacking energy: -144.189
Base-Backbone interact. energy: -0.445
local terms energy: -155.466975
where:
bonds (distance) C4'-P energy: -29.352
bonds (distance) P-C4' energy: -35.844
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -37.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -424.239922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.239922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.239922 (E_RNA)
where:
Base-Base interactions energy: -269.486
where: short stacking energy: -139.501
Base-Backbone interact. energy: -0.879
local terms energy: -153.874964
where:
bonds (distance) C4'-P energy: -32.495
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -33.643
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -35.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -456.664134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.664134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.664134 (E_RNA)
where:
Base-Base interactions energy: -301.042
where: short stacking energy: -147.324
Base-Backbone interact. energy: -0.299
local terms energy: -155.323666
where:
bonds (distance) C4'-P energy: -29.862
bonds (distance) P-C4' energy: -32.230
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -41.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -361.963595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.963595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.963595 (E_RNA)
where:
Base-Base interactions energy: -228.985
where: short stacking energy: -116.078
Base-Backbone interact. energy: -0.358
local terms energy: -132.620164
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -26.446
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -24.559
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: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -260.028118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.028118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.028118 (E_RNA)
where:
Base-Base interactions energy: -147.794
where: short stacking energy: -86.949
Base-Backbone interact. energy: -1.171
local terms energy: -111.063794
where:
bonds (distance) C4'-P energy: -32.161
bonds (distance) P-C4' energy: -28.264
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -9.005
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: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -234.541826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.541826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.541826 (E_RNA)
where:
Base-Base interactions energy: -118.505
where: short stacking energy: -73.623
Base-Backbone interact. energy: 3.779
local terms energy: -119.815812
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -34.094
flat angles P-C4'-P energy: -24.895
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: 104
Temperature: 1.350000
Total energy: -151.592644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.592644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.592644 (E_RNA)
where:
Base-Base interactions energy: -65.333
where: short stacking energy: -54.105
Base-Backbone interact. energy: 2.495
local terms energy: -88.754328
where:
bonds (distance) C4'-P energy: -29.751
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -28.161
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: 5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -544.071047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.071047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.071047 (E_RNA)
where:
Base-Base interactions energy: -358.699
where: short stacking energy: -176.888
Base-Backbone interact. energy: -0.197
local terms energy: -185.175361
where:
bonds (distance) C4'-P energy: -34.712
bonds (distance) P-C4' energy: -32.992
flat angles C4'-P-C4' energy: -37.273
flat angles P-C4'-P energy: -32.355
tors. eta vs tors. theta energy: -47.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -517.159784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.159784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.159784 (E_RNA)
where:
Base-Base interactions energy: -351.416
where: short stacking energy: -157.885
Base-Backbone interact. energy: -0.392
local terms energy: -165.351549
where:
bonds (distance) C4'-P energy: -36.275
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -39.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -465.144532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.144532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.144532 (E_RNA)
where:
Base-Base interactions energy: -304.002
where: short stacking energy: -136.286
Base-Backbone interact. energy: -0.730
local terms energy: -160.412421
where:
bonds (distance) C4'-P energy: -35.137
bonds (distance) P-C4' energy: -38.352
flat angles C4'-P-C4' energy: -37.939
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -26.454
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: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -435.654132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.654132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.654132 (E_RNA)
where:
Base-Base interactions energy: -271.661
where: short stacking energy: -149.704
Base-Backbone interact. energy: -0.187
local terms energy: -163.806484
where:
bonds (distance) C4'-P energy: -24.814
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -39.024
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: -39.501
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: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -399.829841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.829841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.829841 (E_RNA)
where:
Base-Base interactions energy: -258.738
where: short stacking energy: -134.585
Base-Backbone interact. energy: -0.550
local terms energy: -140.541226
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -34.662
flat angles C4'-P-C4' energy: -31.256
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -33.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -430.490293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.490293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.490293 (E_RNA)
where:
Base-Base interactions energy: -280.599
where: short stacking energy: -132.465
Base-Backbone interact. energy: -0.693
local terms energy: -149.198416
where:
bonds (distance) C4'-P energy: -23.086
bonds (distance) P-C4' energy: -30.585
flat angles C4'-P-C4' energy: -35.531
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -33.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -355.508662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.508662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.508662 (E_RNA)
where:
Base-Base interactions energy: -213.505
where: short stacking energy: -102.634
Base-Backbone interact. energy: -0.939
local terms energy: -141.064291
where:
bonds (distance) C4'-P energy: -31.230
bonds (distance) P-C4' energy: -39.491
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -22.537
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: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -254.878209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.878209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.878209 (E_RNA)
where:
Base-Base interactions energy: -133.945
where: short stacking energy: -76.594
Base-Backbone interact. energy: 0.247
local terms energy: -121.180629
where:
bonds (distance) C4'-P energy: -29.125
bonds (distance) P-C4' energy: -33.837
flat angles C4'-P-C4' energy: -33.980
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -233.255072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.255072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.255072 (E_RNA)
where:
Base-Base interactions energy: -121.488
where: short stacking energy: -80.586
Base-Backbone interact. energy: 2.818
local terms energy: -114.585707
where:
bonds (distance) C4'-P energy: -31.117
bonds (distance) P-C4' energy: -34.359
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -9.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -191.570129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.570129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.570129 (E_RNA)
where:
Base-Base interactions energy: -81.963
where: short stacking energy: -48.099
Base-Backbone interact. energy: -0.437
local terms energy: -109.169907
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -553.289679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.289679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.289679 (E_RNA)
where:
Base-Base interactions energy: -366.853
where: short stacking energy: -169.771
Base-Backbone interact. energy: -0.364
local terms energy: -186.072759
where:
bonds (distance) C4'-P energy: -37.436
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -29.618
tors. eta vs tors. theta energy: -49.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -500.520493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.520493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.520493 (E_RNA)
where:
Base-Base interactions energy: -328.830
where: short stacking energy: -145.158
Base-Backbone interact. energy: -0.555
local terms energy: -171.135766
where:
bonds (distance) C4'-P energy: -34.442
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -29.785
tors. eta vs tors. theta energy: -36.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -459.004552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.004552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.004552 (E_RNA)
where:
Base-Base interactions energy: -290.555
where: short stacking energy: -155.478
Base-Backbone interact. energy: -0.305
local terms energy: -168.144501
where:
bonds (distance) C4'-P energy: -34.015
bonds (distance) P-C4' energy: -33.467
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -41.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -435.120258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.120258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.120258 (E_RNA)
where:
Base-Base interactions energy: -274.674
where: short stacking energy: -134.091
Base-Backbone interact. energy: -0.475
local terms energy: -159.970944
where:
bonds (distance) C4'-P energy: -30.999
bonds (distance) P-C4' energy: -38.643
flat angles C4'-P-C4' energy: -37.722
flat angles P-C4'-P energy: -24.977
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: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -452.735852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.735852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.735852 (E_RNA)
where:
Base-Base interactions energy: -302.632
where: short stacking energy: -145.068
Base-Backbone interact. energy: -0.710
local terms energy: -149.393608
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -32.291
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -34.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -423.807302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.807302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.807302 (E_RNA)
where:
Base-Base interactions energy: -268.893
where: short stacking energy: -130.337
Base-Backbone interact. energy: -0.687
local terms energy: -154.227035
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -35.700
flat angles C4'-P-C4' energy: -32.962
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -350.517647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.517647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.517647 (E_RNA)
where:
Base-Base interactions energy: -224.085
where: short stacking energy: -110.250
Base-Backbone interact. energy: -0.421
local terms energy: -126.012454
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -26.940
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -18.465
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: 106
Temperature: 1.250000
Total energy: -241.495499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.495499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.495499 (E_RNA)
where:
Base-Base interactions energy: -123.472
where: short stacking energy: -75.735
Base-Backbone interact. energy: -0.625
local terms energy: -117.399076
where:
bonds (distance) C4'-P energy: -26.035
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -20.206
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: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -243.927594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.927594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.927594 (E_RNA)
where:
Base-Base interactions energy: -124.225
where: short stacking energy: -59.964
Base-Backbone interact. energy: -1.214
local terms energy: -118.488612
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -32.677
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -213.604564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.604564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.604564 (E_RNA)
where:
Base-Base interactions energy: -93.910
where: short stacking energy: -70.143
Base-Backbone interact. energy: 3.096
local terms energy: -122.790845
where:
bonds (distance) C4'-P energy: -31.832
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -16.355
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -555.101359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.101359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.101359 (E_RNA)
where:
Base-Base interactions energy: -363.819
where: short stacking energy: -168.257
Base-Backbone interact. energy: -0.468
local terms energy: -190.814016
where:
bonds (distance) C4'-P energy: -36.997
bonds (distance) P-C4' energy: -37.753
flat angles C4'-P-C4' energy: -37.965
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -47.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -518.564799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.564799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.564799 (E_RNA)
where:
Base-Base interactions energy: -347.059
where: short stacking energy: -158.869
Base-Backbone interact. energy: 0.507
local terms energy: -172.012924
where:
bonds (distance) C4'-P energy: -37.826
bonds (distance) P-C4' energy: -34.474
flat angles C4'-P-C4' energy: -38.699
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -34.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -460.613720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.613720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.613720 (E_RNA)
where:
Base-Base interactions energy: -303.577
where: short stacking energy: -145.923
Base-Backbone interact. energy: -0.513
local terms energy: -156.523339
where:
bonds (distance) C4'-P energy: -29.634
bonds (distance) P-C4' energy: -35.376
flat angles C4'-P-C4' energy: -35.999
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -31.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -476.876587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.876587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.876587 (E_RNA)
where:
Base-Base interactions energy: -308.869
where: short stacking energy: -137.752
Base-Backbone interact. energy: 0.716
local terms energy: -168.723268
where:
bonds (distance) C4'-P energy: -37.595
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -36.462
flat angles P-C4'-P energy: -30.001
tors. eta vs tors. theta energy: -28.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -438.786839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.786839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.786839 (E_RNA)
where:
Base-Base interactions energy: -285.095
where: short stacking energy: -139.462
Base-Backbone interact. energy: -0.613
local terms energy: -153.078898
where:
bonds (distance) C4'-P energy: -40.638
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -33.411
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: -31.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -361.483253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.483253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.483253 (E_RNA)
where:
Base-Base interactions energy: -224.538
where: short stacking energy: -100.894
Base-Backbone interact. energy: -0.701
local terms energy: -136.244740
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -36.437
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -26.639
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: 7, replica: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -388.609014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.609014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.609014 (E_RNA)
where:
Base-Base interactions energy: -249.858
where: short stacking energy: -120.044
Base-Backbone interact. energy: -0.310
local terms energy: -138.440602
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -28.184
flat angles C4'-P-C4' energy: -31.644
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: -32.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -240.290367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.290367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.290367 (E_RNA)
where:
Base-Base interactions energy: -125.840
where: short stacking energy: -80.961
Base-Backbone interact. energy: 2.481
local terms energy: -116.931928
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -9.737
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: 107
Temperature: 1.300000
Total energy: -271.358378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.358378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.358378 (E_RNA)
where:
Base-Base interactions energy: -151.682
where: short stacking energy: -91.969
Base-Backbone interact. energy: -0.774
local terms energy: -118.902782
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -35.109
flat angles C4'-P-C4' energy: -22.348
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -13.526
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: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -166.405364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.405364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.405364 (E_RNA)
where:
Base-Base interactions energy: -63.228
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.630
local terms energy: -102.547428
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -30.327
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -25.730
tors. eta vs tors. theta energy: 3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -555.125831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.125831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.125831 (E_RNA)
where:
Base-Base interactions energy: -374.697
where: short stacking energy: -187.956
Base-Backbone interact. energy: 0.611
local terms energy: -181.039367
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -35.679
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -48.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -525.175687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.175687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.175687 (E_RNA)
where:
Base-Base interactions energy: -357.065
where: short stacking energy: -168.122
Base-Backbone interact. energy: -0.541
local terms energy: -167.569481
where:
bonds (distance) C4'-P energy: -28.955
bonds (distance) P-C4' energy: -33.474
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -45.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -484.878286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.878286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.878286 (E_RNA)
where:
Base-Base interactions energy: -318.184
where: short stacking energy: -152.769
Base-Backbone interact. energy: 0.591
local terms energy: -167.285553
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -43.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -439.657473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.657473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.657473 (E_RNA)
where:
Base-Base interactions energy: -283.328
where: short stacking energy: -143.995
Base-Backbone interact. energy: 1.559
local terms energy: -157.888920
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -36.655
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -434.241790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.241790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.241790 (E_RNA)
where:
Base-Base interactions energy: -287.106
where: short stacking energy: -145.170
Base-Backbone interact. energy: 1.008
local terms energy: -148.144122
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: -30.794
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: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -375.901271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.901271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.901271 (E_RNA)
where:
Base-Base interactions energy: -230.417
where: short stacking energy: -117.467
Base-Backbone interact. energy: -0.970
local terms energy: -144.513801
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -26.363
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -32.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -421.607725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.607725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.607725 (E_RNA)
where:
Base-Base interactions energy: -274.155
where: short stacking energy: -132.068
Base-Backbone interact. energy: 0.782
local terms energy: -148.235675
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -32.423
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -37.603
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: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -244.139047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.139047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.139047 (E_RNA)
where:
Base-Base interactions energy: -117.542
where: short stacking energy: -64.549
Base-Backbone interact. energy: 0.072
local terms energy: -126.668982
where:
bonds (distance) C4'-P energy: -30.916
bonds (distance) P-C4' energy: -36.826
flat angles C4'-P-C4' energy: -40.130
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -0.849
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: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -236.869469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.869469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.869469 (E_RNA)
where:
Base-Base interactions energy: -122.795
where: short stacking energy: -66.122
Base-Backbone interact. energy: -1.489
local terms energy: -112.585767
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -168.204822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.204822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.204822 (E_RNA)
where:
Base-Base interactions energy: -66.736
where: short stacking energy: -53.231
Base-Backbone interact. energy: -0.389
local terms energy: -101.079773
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -12.159
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: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -548.559967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.559967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.559967 (E_RNA)
where:
Base-Base interactions energy: -373.772
where: short stacking energy: -178.281
Base-Backbone interact. energy: -0.020
local terms energy: -174.768086
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -30.688
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -54.409
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: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -528.769732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.769732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.769732 (E_RNA)
where:
Base-Base interactions energy: -353.279
where: short stacking energy: -161.545
Base-Backbone interact. energy: 4.036
local terms energy: -179.526779
where:
bonds (distance) C4'-P energy: -33.378
bonds (distance) P-C4' energy: -35.914
flat angles C4'-P-C4' energy: -39.037
flat angles P-C4'-P energy: -25.524
tors. eta vs tors. theta energy: -45.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -491.827174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.827174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.827174 (E_RNA)
where:
Base-Base interactions energy: -322.066
where: short stacking energy: -149.256
Base-Backbone interact. energy: -0.137
local terms energy: -169.624326
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: -42.133
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: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -443.076256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.076256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.076256 (E_RNA)
where:
Base-Base interactions energy: -283.662
where: short stacking energy: -132.667
Base-Backbone interact. energy: -0.537
local terms energy: -158.877153
where:
bonds (distance) C4'-P energy: -32.514
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -24.145
tors. eta vs tors. theta energy: -33.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -403.931078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.931078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.931078 (E_RNA)
where:
Base-Base interactions energy: -251.098
where: short stacking energy: -122.472
Base-Backbone interact. energy: 0.306
local terms energy: -153.138559
where:
bonds (distance) C4'-P energy: -35.293
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -23.677
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: 109
Temperature: 1.150000
Total energy: -439.527946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.527946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.527946 (E_RNA)
where:
Base-Base interactions energy: -277.945
where: short stacking energy: -133.817
Base-Backbone interact. energy: -0.431
local terms energy: -161.152837
where:
bonds (distance) C4'-P energy: -34.211
bonds (distance) P-C4' energy: -33.426
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -40.064
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: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -335.515236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.515236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.515236 (E_RNA)
where:
Base-Base interactions energy: -205.814
where: short stacking energy: -101.952
Base-Backbone interact. energy: -0.725
local terms energy: -128.976210
where:
bonds (distance) C4'-P energy: -24.389
bonds (distance) P-C4' energy: -37.100
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -17.380
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: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -264.558062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.558062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.558062 (E_RNA)
where:
Base-Base interactions energy: -141.287
where: short stacking energy: -73.975
Base-Backbone interact. energy: 0.165
local terms energy: -123.436454
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -244.271690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.271690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.271690 (E_RNA)
where:
Base-Base interactions energy: -132.582
where: short stacking energy: -75.477
Base-Backbone interact. energy: 0.873
local terms energy: -112.562183
where:
bonds (distance) C4'-P energy: -27.500
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -28.924
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -10.545
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: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -162.745431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.745431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.745431 (E_RNA)
where:
Base-Base interactions energy: -68.598
where: short stacking energy: -53.805
Base-Backbone interact. energy: -0.788
local terms energy: -93.359824
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -26.098
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: 1.239
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: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -548.336429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.336429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.336429 (E_RNA)
where:
Base-Base interactions energy: -361.430
where: short stacking energy: -187.046
Base-Backbone interact. energy: -0.022
local terms energy: -186.884275
where:
bonds (distance) C4'-P energy: -31.429
bonds (distance) P-C4' energy: -29.478
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -57.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -519.725216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.725216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.725216 (E_RNA)
where:
Base-Base interactions energy: -354.299
where: short stacking energy: -162.868
Base-Backbone interact. energy: -0.458
local terms energy: -164.968275
where:
bonds (distance) C4'-P energy: -33.750
bonds (distance) P-C4' energy: -37.491
flat angles C4'-P-C4' energy: -33.891
flat angles P-C4'-P energy: -19.011
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: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -465.413503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.413503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.413503 (E_RNA)
where:
Base-Base interactions energy: -299.151
where: short stacking energy: -149.740
Base-Backbone interact. energy: 0.060
local terms energy: -166.322084
where:
bonds (distance) C4'-P energy: -31.104
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -38.713
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -38.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -490.412524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.412524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.412524 (E_RNA)
where:
Base-Base interactions energy: -333.193
where: short stacking energy: -164.215
Base-Backbone interact. energy: -0.243
local terms energy: -156.977052
where:
bonds (distance) C4'-P energy: -30.045
bonds (distance) P-C4' energy: -27.820
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -25.473
tors. eta vs tors. theta energy: -36.515
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: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -431.851734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.851734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.851734 (E_RNA)
where:
Base-Base interactions energy: -280.099
where: short stacking energy: -135.108
Base-Backbone interact. energy: -0.407
local terms energy: -151.346053
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -33.233
flat angles C4'-P-C4' energy: -33.415
flat angles P-C4'-P energy: -22.746
tors. eta vs tors. theta energy: -33.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -440.741740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.741740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.741740 (E_RNA)
where:
Base-Base interactions energy: -288.547
where: short stacking energy: -150.989
Base-Backbone interact. energy: -0.946
local terms energy: -151.248761
where:
bonds (distance) C4'-P energy: -29.394
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -29.234
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -39.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -346.128282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.128282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.128282 (E_RNA)
where:
Base-Base interactions energy: -211.567
where: short stacking energy: -103.699
Base-Backbone interact. energy: -0.256
local terms energy: -134.306119
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -25.064
tors. eta vs tors. theta energy: -20.087
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: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -266.293117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.293117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.293117 (E_RNA)
where:
Base-Base interactions energy: -145.377
where: short stacking energy: -73.632
Base-Backbone interact. energy: -0.308
local terms energy: -120.608992
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -28.277
flat angles C4'-P-C4' energy: -36.217
flat angles P-C4'-P energy: -21.146
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: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -228.589596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.589596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.589596 (E_RNA)
where:
Base-Base interactions energy: -117.156
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.470
local terms energy: -110.963297
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -30.239
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -194.188364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.188364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.188364 (E_RNA)
where:
Base-Base interactions energy: -97.127
where: short stacking energy: -64.323
Base-Backbone interact. energy: 0.174
local terms energy: -97.234714
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -24.799
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -547.360053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.360053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.360053 (E_RNA)
where:
Base-Base interactions energy: -367.308
where: short stacking energy: -181.020
Base-Backbone interact. energy: -0.037
local terms energy: -180.014809
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -53.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -514.112634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.112634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.112634 (E_RNA)
where:
Base-Base interactions energy: -340.804
where: short stacking energy: -164.243
Base-Backbone interact. energy: -0.570
local terms energy: -172.738964
where:
bonds (distance) C4'-P energy: -27.657
bonds (distance) P-C4' energy: -36.721
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -42.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -487.317024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.317024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.317024 (E_RNA)
where:
Base-Base interactions energy: -317.688
where: short stacking energy: -156.461
Base-Backbone interact. energy: -0.658
local terms energy: -168.971520
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -33.194
flat angles C4'-P-C4' energy: -41.494
flat angles P-C4'-P energy: -21.002
tors. eta vs tors. theta energy: -39.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -475.366039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.366039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.366039 (E_RNA)
where:
Base-Base interactions energy: -321.217
where: short stacking energy: -147.683
Base-Backbone interact. energy: -0.392
local terms energy: -153.756824
where:
bonds (distance) C4'-P energy: -31.671
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -33.779
flat angles P-C4'-P energy: -29.348
tors. eta vs tors. theta energy: -30.834
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: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -415.613174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.613174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.613174 (E_RNA)
where:
Base-Base interactions energy: -257.395
where: short stacking energy: -119.583
Base-Backbone interact. energy: 1.960
local terms energy: -160.178003
where:
bonds (distance) C4'-P energy: -32.741
bonds (distance) P-C4' energy: -34.078
flat angles C4'-P-C4' energy: -37.809
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -34.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -410.885192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.885192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.885192 (E_RNA)
where:
Base-Base interactions energy: -261.672
where: short stacking energy: -135.165
Base-Backbone interact. energy: -0.336
local terms energy: -148.877915
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -38.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -337.138465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.138465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.138465 (E_RNA)
where:
Base-Base interactions energy: -215.031
where: short stacking energy: -105.217
Base-Backbone interact. energy: 0.915
local terms energy: -123.022050
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -29.543
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: 111
Temperature: 1.250000
Total energy: -241.283060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.283060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.283060 (E_RNA)
where:
Base-Base interactions energy: -130.995
where: short stacking energy: -78.487
Base-Backbone interact. energy: 0.037
local terms energy: -110.324439
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -30.841
flat angles C4'-P-C4' energy: -26.709
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -241.720024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.720024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.720024 (E_RNA)
where:
Base-Base interactions energy: -122.782
where: short stacking energy: -65.212
Base-Backbone interact. energy: -1.120
local terms energy: -117.818655
where:
bonds (distance) C4'-P energy: -36.712
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -191.126425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.126425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.126425 (E_RNA)
where:
Base-Base interactions energy: -86.917
where: short stacking energy: -48.182
Base-Backbone interact. energy: 0.582
local terms energy: -104.791777
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -516.028422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.028422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.028422 (E_RNA)
where:
Base-Base interactions energy: -342.609
where: short stacking energy: -169.359
Base-Backbone interact. energy: -0.671
local terms energy: -172.748881
where:
bonds (distance) C4'-P energy: -37.565
bonds (distance) P-C4' energy: -30.633
flat angles C4'-P-C4' energy: -33.854
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: -48.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -537.255735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.255735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.255735 (E_RNA)
where:
Base-Base interactions energy: -359.261
where: short stacking energy: -178.543
Base-Backbone interact. energy: -0.525
local terms energy: -177.470433
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -35.852
flat angles C4'-P-C4' energy: -34.534
flat angles P-C4'-P energy: -26.246
tors. eta vs tors. theta energy: -52.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -504.806982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.806982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.806982 (E_RNA)
where:
Base-Base interactions energy: -334.865
where: short stacking energy: -160.673
Base-Backbone interact. energy: -1.097
local terms energy: -168.844841
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -35.788
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -43.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -448.649478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.649478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.649478 (E_RNA)
where:
Base-Base interactions energy: -290.750
where: short stacking energy: -123.519
Base-Backbone interact. energy: -0.324
local terms energy: -157.575630
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -430.881929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.881929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.881929 (E_RNA)
where:
Base-Base interactions energy: -280.834
where: short stacking energy: -137.874
Base-Backbone interact. energy: -0.386
local terms energy: -149.662640
where:
bonds (distance) C4'-P energy: -33.315
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -36.314
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -36.540
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: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -364.163106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.163106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.163106 (E_RNA)
where:
Base-Base interactions energy: -248.375
where: short stacking energy: -104.822
Base-Backbone interact. energy: 0.257
local terms energy: -116.045516
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -33.345
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -344.569157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.569157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.569157 (E_RNA)
where:
Base-Base interactions energy: -207.864
where: short stacking energy: -119.930
Base-Backbone interact. energy: 0.211
local terms energy: -136.916393
where:
bonds (distance) C4'-P energy: -29.660
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -33.445
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -253.894347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.894347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.894347 (E_RNA)
where:
Base-Base interactions energy: -123.301
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.580
local terms energy: -130.014097
where:
bonds (distance) C4'-P energy: -36.386
bonds (distance) P-C4' energy: -37.972
flat angles C4'-P-C4' energy: -27.624
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -241.742203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.742203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.742203 (E_RNA)
where:
Base-Base interactions energy: -126.291
where: short stacking energy: -83.102
Base-Backbone interact. energy: -0.350
local terms energy: -115.101725
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -38.301
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -184.391738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.391738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.391738 (E_RNA)
where:
Base-Base interactions energy: -95.448
where: short stacking energy: -48.231
Base-Backbone interact. energy: -1.555
local terms energy: -87.388365
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -31.212
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: 6.104
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: 113
Temperature: 0.900000
Total energy: -528.036442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.036442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.036442 (E_RNA)
where:
Base-Base interactions energy: -352.107
where: short stacking energy: -165.424
Base-Backbone interact. energy: -0.491
local terms energy: -175.438685
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -35.777
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -44.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -524.997037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.997037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.997037 (E_RNA)
where:
Base-Base interactions energy: -347.580
where: short stacking energy: -172.882
Base-Backbone interact. energy: 0.228
local terms energy: -177.644731
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -36.471
flat angles C4'-P-C4' energy: -37.027
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -49.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -487.196570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.196570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.196570 (E_RNA)
where:
Base-Base interactions energy: -328.228
where: short stacking energy: -149.387
Base-Backbone interact. energy: -0.482
local terms energy: -158.487102
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -33.612
flat angles C4'-P-C4' energy: -36.420
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -36.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -461.757936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.757936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.757936 (E_RNA)
where:
Base-Base interactions energy: -313.056
where: short stacking energy: -142.946
Base-Backbone interact. energy: 1.094
local terms energy: -149.795548
where:
bonds (distance) C4'-P energy: -32.663
bonds (distance) P-C4' energy: -28.365
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -32.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -437.659991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.659991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.659991 (E_RNA)
where:
Base-Base interactions energy: -283.921
where: short stacking energy: -140.137
Base-Backbone interact. energy: -0.056
local terms energy: -153.682874
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -22.105
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -354.491913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.491913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.491913 (E_RNA)
where:
Base-Base interactions energy: -227.548
where: short stacking energy: -115.678
Base-Backbone interact. energy: 0.159
local terms energy: -127.103363
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -32.502
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -20.938
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -336.480737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.480737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.480737 (E_RNA)
where:
Base-Base interactions energy: -213.937
where: short stacking energy: -98.915
Base-Backbone interact. energy: 0.955
local terms energy: -123.499207
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -33.867
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -262.463931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.463931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.463931 (E_RNA)
where:
Base-Base interactions energy: -138.042
where: short stacking energy: -89.593
Base-Backbone interact. energy: 3.350
local terms energy: -127.771594
where:
bonds (distance) C4'-P energy: -28.997
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -221.242100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.242100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.242100 (E_RNA)
where:
Base-Base interactions energy: -117.308
where: short stacking energy: -61.328
Base-Backbone interact. energy: -1.483
local terms energy: -102.450792
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -2.038
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: 113
Temperature: 1.350000
Total energy: -152.218397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.218397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.218397 (E_RNA)
where:
Base-Base interactions energy: -54.140
where: short stacking energy: -41.739
Base-Backbone interact. energy: -1.099
local terms energy: -96.978652
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -25.598
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: 0.522
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: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -535.951254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.951254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.951254 (E_RNA)
where:
Base-Base interactions energy: -349.043
where: short stacking energy: -176.806
Base-Backbone interact. energy: -0.033
local terms energy: -186.875471
where:
bonds (distance) C4'-P energy: -38.492
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -49.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -502.528572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.528572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.528572 (E_RNA)
where:
Base-Base interactions energy: -331.725
where: short stacking energy: -145.148
Base-Backbone interact. energy: -0.600
local terms energy: -170.204297
where:
bonds (distance) C4'-P energy: -35.861
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -32.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -519.623070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.623070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.623070 (E_RNA)
where:
Base-Base interactions energy: -349.495
where: short stacking energy: -160.656
Base-Backbone interact. energy: -0.918
local terms energy: -169.209435
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -37.920
flat angles C4'-P-C4' energy: -38.137
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -43.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -469.244190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.244190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.244190 (E_RNA)
where:
Base-Base interactions energy: -311.133
where: short stacking energy: -148.539
Base-Backbone interact. energy: 0.807
local terms energy: -158.918874
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -35.599
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -33.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -452.272893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.272893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.272893 (E_RNA)
where:
Base-Base interactions energy: -288.846
where: short stacking energy: -142.131
Base-Backbone interact. energy: -0.113
local terms energy: -163.313739
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: -39.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -369.586754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.586754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.586754 (E_RNA)
where:
Base-Base interactions energy: -245.053
where: short stacking energy: -114.364
Base-Backbone interact. energy: -0.992
local terms energy: -123.541710
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -30.568
flat angles P-C4'-P energy: -17.235
tors. eta vs tors. theta energy: -16.498
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: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -276.417650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.417650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.417650 (E_RNA)
where:
Base-Base interactions energy: -141.962
where: short stacking energy: -88.632
Base-Backbone interact. energy: -0.097
local terms energy: -134.357695
where:
bonds (distance) C4'-P energy: -30.906
bonds (distance) P-C4' energy: -31.994
flat angles C4'-P-C4' energy: -34.862
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -339.055567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.055567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.055567 (E_RNA)
where:
Base-Base interactions energy: -203.728
where: short stacking energy: -109.728
Base-Backbone interact. energy: -0.048
local terms energy: -135.279830
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -36.985
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -31.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -228.202737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.202737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.202737 (E_RNA)
where:
Base-Base interactions energy: -125.821
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.277
local terms energy: -102.104568
where:
bonds (distance) C4'-P energy: -23.610
bonds (distance) P-C4' energy: -21.897
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -164.698184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.698184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.698184 (E_RNA)
where:
Base-Base interactions energy: -64.246
where: short stacking energy: -50.429
Base-Backbone interact. energy: -0.006
local terms energy: -100.445712
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -27.710
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -543.455798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.455798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.455798 (E_RNA)
where:
Base-Base interactions energy: -363.121
where: short stacking energy: -178.190
Base-Backbone interact. energy: -0.227
local terms energy: -180.107841
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -36.319
flat angles C4'-P-C4' energy: -42.761
flat angles P-C4'-P energy: -24.497
tors. eta vs tors. theta energy: -46.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -520.735670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.735670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.735670 (E_RNA)
where:
Base-Base interactions energy: -344.429
where: short stacking energy: -165.092
Base-Backbone interact. energy: -0.442
local terms energy: -175.863995
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -21.320
tors. eta vs tors. theta energy: -46.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -519.752782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.752782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.752782 (E_RNA)
where:
Base-Base interactions energy: -347.470
where: short stacking energy: -165.785
Base-Backbone interact. energy: 1.894
local terms energy: -174.176464
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -37.053
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -46.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -461.209296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.209296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.209296 (E_RNA)
where:
Base-Base interactions energy: -308.253
where: short stacking energy: -139.215
Base-Backbone interact. energy: -0.483
local terms energy: -152.473579
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -29.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -428.173869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.173869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.173869 (E_RNA)
where:
Base-Base interactions energy: -278.812
where: short stacking energy: -134.110
Base-Backbone interact. energy: 0.359
local terms energy: -149.721509
where:
bonds (distance) C4'-P energy: -31.072
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -34.096
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -28.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -356.472585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.472585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.472585 (E_RNA)
where:
Base-Base interactions energy: -216.237
where: short stacking energy: -104.471
Base-Backbone interact. energy: -0.095
local terms energy: -140.140621
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -36.605
flat angles C4'-P-C4' energy: -33.914
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -286.990317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.990317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.990317 (E_RNA)
where:
Base-Base interactions energy: -149.680
where: short stacking energy: -98.954
Base-Backbone interact. energy: -2.168
local terms energy: -135.142732
where:
bonds (distance) C4'-P energy: -25.988
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -32.852
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -27.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -341.695228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.695228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.695228 (E_RNA)
where:
Base-Base interactions energy: -204.928
where: short stacking energy: -101.767
Base-Backbone interact. energy: -0.949
local terms energy: -135.818516
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -21.507
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: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -222.920162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.920162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.920162 (E_RNA)
where:
Base-Base interactions energy: -114.597
where: short stacking energy: -69.953
Base-Backbone interact. energy: -0.896
local terms energy: -107.426499
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -4.913
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: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -153.976059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.976059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.976059 (E_RNA)
where:
Base-Base interactions energy: -50.187
where: short stacking energy: -46.301
Base-Backbone interact. energy: -1.593
local terms energy: -102.196083
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -31.611
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -533.360560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.360560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.360560 (E_RNA)
where:
Base-Base interactions energy: -361.397
where: short stacking energy: -179.540
Base-Backbone interact. energy: -0.024
local terms energy: -171.939703
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -37.872
flat angles C4'-P-C4' energy: -32.778
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -55.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -505.116364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.116364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.116364 (E_RNA)
where:
Base-Base interactions energy: -330.896
where: short stacking energy: -146.634
Base-Backbone interact. energy: -0.630
local terms energy: -173.590936
where:
bonds (distance) C4'-P energy: -34.264
bonds (distance) P-C4' energy: -32.083
flat angles C4'-P-C4' energy: -39.685
flat angles P-C4'-P energy: -24.691
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: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -473.011024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.011024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.011024 (E_RNA)
where:
Base-Base interactions energy: -311.472
where: short stacking energy: -161.711
Base-Backbone interact. energy: -0.320
local terms energy: -161.218706
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -39.749
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -38.584
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: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -514.411095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.411095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.411095 (E_RNA)
where:
Base-Base interactions energy: -345.156
where: short stacking energy: -161.916
Base-Backbone interact. energy: 0.335
local terms energy: -169.590199
where:
bonds (distance) C4'-P energy: -28.632
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -34.402
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -42.885
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: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -433.686006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.686006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.686006 (E_RNA)
where:
Base-Base interactions energy: -272.601
where: short stacking energy: -138.100
Base-Backbone interact. energy: -0.142
local terms energy: -160.942836
where:
bonds (distance) C4'-P energy: -31.019
bonds (distance) P-C4' energy: -29.938
flat angles C4'-P-C4' energy: -37.166
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -38.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -356.578042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.578042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.578042 (E_RNA)
where:
Base-Base interactions energy: -216.442
where: short stacking energy: -108.495
Base-Backbone interact. energy: -1.320
local terms energy: -138.815986
where:
bonds (distance) C4'-P energy: -25.509
bonds (distance) P-C4' energy: -41.034
flat angles C4'-P-C4' energy: -29.275
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -347.262991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.262991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.262991 (E_RNA)
where:
Base-Base interactions energy: -213.979
where: short stacking energy: -110.540
Base-Backbone interact. energy: -0.930
local terms energy: -132.353408
where:
bonds (distance) C4'-P energy: -33.964
bonds (distance) P-C4' energy: -32.545
flat angles C4'-P-C4' energy: -28.645
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -267.290552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.290552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.290552 (E_RNA)
where:
Base-Base interactions energy: -134.026
where: short stacking energy: -85.618
Base-Backbone interact. energy: 0.788
local terms energy: -134.052164
where:
bonds (distance) C4'-P energy: -30.049
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -33.692
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -227.333004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.333004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.333004 (E_RNA)
where:
Base-Base interactions energy: -123.081
where: short stacking energy: -64.040
Base-Backbone interact. energy: -0.382
local terms energy: -103.869211
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -33.777
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -161.718979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.718979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.718979 (E_RNA)
where:
Base-Base interactions energy: -57.097
where: short stacking energy: -56.436
Base-Backbone interact. energy: 1.772
local terms energy: -106.393377
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -542.433119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.433119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.433119 (E_RNA)
where:
Base-Base interactions energy: -351.583
where: short stacking energy: -172.599
Base-Backbone interact. energy: -0.337
local terms energy: -190.512649
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -32.021
tors. eta vs tors. theta energy: -51.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -522.780384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.780384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.780384 (E_RNA)
where:
Base-Base interactions energy: -346.541
where: short stacking energy: -182.671
Base-Backbone interact. energy: -0.326
local terms energy: -175.913681
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -45.890
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: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -476.747822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.747822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.747822 (E_RNA)
where:
Base-Base interactions energy: -311.263
where: short stacking energy: -145.425
Base-Backbone interact. energy: -0.647
local terms energy: -164.837805
where:
bonds (distance) C4'-P energy: -33.474
bonds (distance) P-C4' energy: -31.888
flat angles C4'-P-C4' energy: -39.332
flat angles P-C4'-P energy: -25.874
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: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -522.022341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.022341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.022341 (E_RNA)
where:
Base-Base interactions energy: -351.414
where: short stacking energy: -171.569
Base-Backbone interact. energy: -0.082
local terms energy: -170.527246
where:
bonds (distance) C4'-P energy: -26.326
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -35.114
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -48.895
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: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -401.398899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.398899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.398899 (E_RNA)
where:
Base-Base interactions energy: -246.515
where: short stacking energy: -125.353
Base-Backbone interact. energy: -0.592
local terms energy: -154.291910
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -35.703
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -29.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -346.692541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.692541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.692541 (E_RNA)
where:
Base-Base interactions energy: -203.912
where: short stacking energy: -108.481
Base-Backbone interact. energy: -1.221
local terms energy: -141.559385
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -34.667
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -26.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -318.705366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.705366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.705366 (E_RNA)
where:
Base-Base interactions energy: -193.621
where: short stacking energy: -95.931
Base-Backbone interact. energy: 0.194
local terms energy: -125.278019
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -16.721
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: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -264.006450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.006450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.006450 (E_RNA)
where:
Base-Base interactions energy: -131.527
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.461
local terms energy: -132.018597
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -32.150
flat angles C4'-P-C4' energy: -37.456
flat angles P-C4'-P energy: -17.541
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: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -218.304620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.304620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.304620 (E_RNA)
where:
Base-Base interactions energy: -122.849
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.719
local terms energy: -94.736764
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -22.149
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -155.226724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.226724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.226724 (E_RNA)
where:
Base-Base interactions energy: -44.814
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.650
local terms energy: -109.762665
where:
bonds (distance) C4'-P energy: -31.687
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -20.185
tors. eta vs tors. theta energy: -0.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -532.373782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.373782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.373782 (E_RNA)
where:
Base-Base interactions energy: -357.245
where: short stacking energy: -172.965
Base-Backbone interact. energy: -0.551
local terms energy: -174.578438
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -34.449
flat angles C4'-P-C4' energy: -38.277
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -47.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -522.277200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.277200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.277200 (E_RNA)
where:
Base-Base interactions energy: -355.473
where: short stacking energy: -170.192
Base-Backbone interact. energy: -0.201
local terms energy: -166.602575
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -42.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -552.060448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.060448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.060448 (E_RNA)
where:
Base-Base interactions energy: -363.925
where: short stacking energy: -165.085
Base-Backbone interact. energy: -1.347
local terms energy: -186.788838
where:
bonds (distance) C4'-P energy: -37.181
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -39.250
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -48.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -463.876848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.876848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.876848 (E_RNA)
where:
Base-Base interactions energy: -302.231
where: short stacking energy: -148.398
Base-Backbone interact. energy: -0.491
local terms energy: -161.154455
where:
bonds (distance) C4'-P energy: -33.231
bonds (distance) P-C4' energy: -32.919
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -35.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -395.447645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.447645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.447645 (E_RNA)
where:
Base-Base interactions energy: -251.108
where: short stacking energy: -114.695
Base-Backbone interact. energy: -0.023
local terms energy: -144.316936
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -26.419
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -361.788276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.788276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.788276 (E_RNA)
where:
Base-Base interactions energy: -224.712
where: short stacking energy: -123.726
Base-Backbone interact. energy: -0.555
local terms energy: -136.521718
where:
bonds (distance) C4'-P energy: -26.769
bonds (distance) P-C4' energy: -28.886
flat angles C4'-P-C4' energy: -36.241
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: -24.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -311.105227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.105227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.105227 (E_RNA)
where:
Base-Base interactions energy: -176.805
where: short stacking energy: -97.296
Base-Backbone interact. energy: 0.780
local terms energy: -135.080611
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -37.011
flat angles C4'-P-C4' energy: -27.730
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -258.132401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.132401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.132401 (E_RNA)
where:
Base-Base interactions energy: -143.469
where: short stacking energy: -74.272
Base-Backbone interact. energy: -1.408
local terms energy: -113.255154
where:
bonds (distance) C4'-P energy: -27.398
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -23.956
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -12.603
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: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -225.113456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.113456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.113456 (E_RNA)
where:
Base-Base interactions energy: -107.221
where: short stacking energy: -63.235
Base-Backbone interact. energy: 0.595
local terms energy: -118.488164
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -161.855016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.855016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.855016 (E_RNA)
where:
Base-Base interactions energy: -51.589
where: short stacking energy: -41.795
Base-Backbone interact. energy: 1.817
local terms energy: -112.083526
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -33.689
flat angles P-C4'-P energy: -18.212
tors. eta vs tors. theta energy: 3.193
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: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -535.656446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.656446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.656446 (E_RNA)
where:
Base-Base interactions energy: -350.524
where: short stacking energy: -170.694
Base-Backbone interact. energy: -0.808
local terms energy: -184.324913
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -36.475
flat angles P-C4'-P energy: -28.835
tors. eta vs tors. theta energy: -52.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -572.177493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.177493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.177493 (E_RNA)
where:
Base-Base interactions energy: -392.622
where: short stacking energy: -192.421
Base-Backbone interact. energy: -0.023
local terms energy: -179.532804
where:
bonds (distance) C4'-P energy: -30.101
bonds (distance) P-C4' energy: -36.492
flat angles C4'-P-C4' energy: -37.341
flat angles P-C4'-P energy: -24.421
tors. eta vs tors. theta energy: -51.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -525.572554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.572554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.572554 (E_RNA)
where:
Base-Base interactions energy: -349.202
where: short stacking energy: -162.223
Base-Backbone interact. energy: 0.099
local terms energy: -176.469795
where:
bonds (distance) C4'-P energy: -33.301
bonds (distance) P-C4' energy: -33.788
flat angles C4'-P-C4' energy: -35.928
flat angles P-C4'-P energy: -30.091
tors. eta vs tors. theta energy: -43.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -455.394695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.394695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.394695 (E_RNA)
where:
Base-Base interactions energy: -289.868
where: short stacking energy: -137.702
Base-Backbone interact. energy: -0.136
local terms energy: -165.390484
where:
bonds (distance) C4'-P energy: -33.665
bonds (distance) P-C4' energy: -41.208
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -31.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -390.420689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.420689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.420689 (E_RNA)
where:
Base-Base interactions energy: -250.093
where: short stacking energy: -124.218
Base-Backbone interact. energy: -0.159
local terms energy: -140.168715
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -26.562
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -28.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -344.863261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.863261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.863261 (E_RNA)
where:
Base-Base interactions energy: -210.826
where: short stacking energy: -105.655
Base-Backbone interact. energy: -0.310
local terms energy: -133.726959
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -22.881
tors. eta vs tors. theta energy: -22.694
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: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -330.982409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.982409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.982409 (E_RNA)
where:
Base-Base interactions energy: -195.649
where: short stacking energy: -100.091
Base-Backbone interact. energy: -0.195
local terms energy: -135.137765
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -35.392
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -258.800420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.800420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.800420 (E_RNA)
where:
Base-Base interactions energy: -152.887
where: short stacking energy: -81.833
Base-Backbone interact. energy: -1.058
local terms energy: -104.855381
where:
bonds (distance) C4'-P energy: -33.607
bonds (distance) P-C4' energy: -33.856
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -6.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -235.017663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.017663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.017663 (E_RNA)
where:
Base-Base interactions energy: -122.924
where: short stacking energy: -70.184
Base-Backbone interact. energy: 2.039
local terms energy: -114.133069
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -150.212321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.212321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.212321 (E_RNA)
where:
Base-Base interactions energy: -46.006
where: short stacking energy: -34.963
Base-Backbone interact. energy: 2.568
local terms energy: -106.774447
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -27.372
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -1.808
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: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -586.508634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.508634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.508634 (E_RNA)
where:
Base-Base interactions energy: -398.033
where: short stacking energy: -184.311
Base-Backbone interact. energy: -0.192
local terms energy: -188.284027
where:
bonds (distance) C4'-P energy: -37.290
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -38.661
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -49.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -525.768211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.768211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.768211 (E_RNA)
where:
Base-Base interactions energy: -349.780
where: short stacking energy: -176.426
Base-Backbone interact. energy: -0.179
local terms energy: -175.808891
where:
bonds (distance) C4'-P energy: -31.697
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -36.517
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: -47.771
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: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -522.130660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.130660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.130660 (E_RNA)
where:
Base-Base interactions energy: -348.348
where: short stacking energy: -154.166
Base-Backbone interact. energy: -0.847
local terms energy: -172.935394
where:
bonds (distance) C4'-P energy: -36.833
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -45.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -459.350927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.350927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.350927 (E_RNA)
where:
Base-Base interactions energy: -307.405
where: short stacking energy: -142.316
Base-Backbone interact. energy: -0.757
local terms energy: -151.188702
where:
bonds (distance) C4'-P energy: -27.949
bonds (distance) P-C4' energy: -32.420
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -38.196
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: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -454.163131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.163131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.163131 (E_RNA)
where:
Base-Base interactions energy: -293.945
where: short stacking energy: -147.076
Base-Backbone interact. energy: -0.157
local terms energy: -160.061671
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -35.734
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -38.000
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: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -362.259802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.259802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.259802 (E_RNA)
where:
Base-Base interactions energy: -223.815
where: short stacking energy: -107.512
Base-Backbone interact. energy: 1.876
local terms energy: -140.320753
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -32.382
flat angles C4'-P-C4' energy: -35.560
flat angles P-C4'-P energy: -22.990
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -319.770842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.770842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.770842 (E_RNA)
where:
Base-Base interactions energy: -198.980
where: short stacking energy: -90.074
Base-Backbone interact. energy: 0.208
local terms energy: -120.998995
where:
bonds (distance) C4'-P energy: -31.135
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -245.702577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.702577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.702577 (E_RNA)
where:
Base-Base interactions energy: -131.206
where: short stacking energy: -77.850
Base-Backbone interact. energy: -1.247
local terms energy: -113.249075
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -34.929
flat angles C4'-P-C4' energy: -26.564
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -224.388549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.388549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.388549 (E_RNA)
where:
Base-Base interactions energy: -134.153
where: short stacking energy: -56.522
Base-Backbone interact. energy: -0.609
local terms energy: -89.625622
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -28.312
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: 1.850
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: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -171.101840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.101840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.101840 (E_RNA)
where:
Base-Base interactions energy: -78.346
where: short stacking energy: -53.537
Base-Backbone interact. energy: 1.347
local terms energy: -94.103260
where:
bonds (distance) C4'-P energy: -24.254
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: 3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -578.918734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.918734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.918734 (E_RNA)
where:
Base-Base interactions energy: -394.025
where: short stacking energy: -190.451
Base-Backbone interact. energy: -0.319
local terms energy: -184.574863
where:
bonds (distance) C4'-P energy: -38.232
bonds (distance) P-C4' energy: -37.967
flat angles C4'-P-C4' energy: -36.680
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -52.710
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: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -527.764269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.764269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.764269 (E_RNA)
where:
Base-Base interactions energy: -355.509
where: short stacking energy: -175.431
Base-Backbone interact. energy: -0.503
local terms energy: -171.751470
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -34.944
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -49.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -518.149921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.149921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.149921 (E_RNA)
where:
Base-Base interactions energy: -348.950
where: short stacking energy: -168.435
Base-Backbone interact. energy: 0.983
local terms energy: -170.183338
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -50.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -467.805767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.805767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.805767 (E_RNA)
where:
Base-Base interactions energy: -299.326
where: short stacking energy: -157.978
Base-Backbone interact. energy: -0.703
local terms energy: -167.777088
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -37.046
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -44.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -440.513414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.513414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.513414 (E_RNA)
where:
Base-Base interactions energy: -301.244
where: short stacking energy: -143.246
Base-Backbone interact. energy: -0.859
local terms energy: -138.410690
where:
bonds (distance) C4'-P energy: -27.054
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -34.031
flat angles P-C4'-P energy: -19.051
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: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -365.381310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.381310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.381310 (E_RNA)
where:
Base-Base interactions energy: -233.859
where: short stacking energy: -117.852
Base-Backbone interact. energy: -0.426
local terms energy: -131.096067
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -17.644
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -351.230887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.230887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.230887 (E_RNA)
where:
Base-Base interactions energy: -217.885
where: short stacking energy: -112.031
Base-Backbone interact. energy: -0.575
local terms energy: -132.771359
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -33.799
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -20.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -248.226813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.226813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.226813 (E_RNA)
where:
Base-Base interactions energy: -138.002
where: short stacking energy: -93.278
Base-Backbone interact. energy: -0.201
local terms energy: -110.023613
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -31.194
flat angles P-C4'-P energy: -9.930
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: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -235.820790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.820790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.820790 (E_RNA)
where:
Base-Base interactions energy: -122.404
where: short stacking energy: -80.352
Base-Backbone interact. energy: 4.176
local terms energy: -117.592968
where:
bonds (distance) C4'-P energy: -27.208
bonds (distance) P-C4' energy: -36.896
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -8.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -162.583038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.583038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.583038 (E_RNA)
where:
Base-Base interactions energy: -54.163
where: short stacking energy: -43.753
Base-Backbone interact. energy: 1.574
local terms energy: -109.993792
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -22.513
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -582.542217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.542217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.542217 (E_RNA)
where:
Base-Base interactions energy: -395.996
where: short stacking energy: -194.471
Base-Backbone interact. energy: -0.284
local terms energy: -186.262240
where:
bonds (distance) C4'-P energy: -29.529
bonds (distance) P-C4' energy: -37.345
flat angles C4'-P-C4' energy: -37.291
flat angles P-C4'-P energy: -29.158
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: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -541.987878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.987878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.987878 (E_RNA)
where:
Base-Base interactions energy: -368.724
where: short stacking energy: -171.703
Base-Backbone interact. energy: -1.594
local terms energy: -171.669887
where:
bonds (distance) C4'-P energy: -27.993
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -35.136
flat angles P-C4'-P energy: -30.216
tors. eta vs tors. theta energy: -45.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -544.517985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.517985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.517985 (E_RNA)
where:
Base-Base interactions energy: -359.124
where: short stacking energy: -187.840
Base-Backbone interact. energy: -0.053
local terms energy: -185.340974
where:
bonds (distance) C4'-P energy: -32.597
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -43.194
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -54.562
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: 122
Temperature: 1.050000
Total energy: -465.086102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.086102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.086102 (E_RNA)
where:
Base-Base interactions energy: -295.912
where: short stacking energy: -167.962
Base-Backbone interact. energy: 0.200
local terms energy: -169.373689
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -46.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -446.992835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.992835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.992835 (E_RNA)
where:
Base-Base interactions energy: -295.067
where: short stacking energy: -130.469
Base-Backbone interact. energy: 0.475
local terms energy: -152.400545
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -34.527
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -33.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -349.196042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.196042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.196042 (E_RNA)
where:
Base-Base interactions energy: -217.997
where: short stacking energy: -99.720
Base-Backbone interact. energy: -0.312
local terms energy: -130.886490
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -30.738
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -326.592936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.592936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.592936 (E_RNA)
where:
Base-Base interactions energy: -206.577
where: short stacking energy: -98.314
Base-Backbone interact. energy: -0.391
local terms energy: -119.625486
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -32.946
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -12.986
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: 122
Temperature: 1.250000
Total energy: -251.405236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.405236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.405236 (E_RNA)
where:
Base-Base interactions energy: -124.816
where: short stacking energy: -74.925
Base-Backbone interact. energy: -0.123
local terms energy: -126.466012
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -29.418
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -245.736136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.736136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.736136 (E_RNA)
where:
Base-Base interactions energy: -137.957
where: short stacking energy: -86.549
Base-Backbone interact. energy: -0.062
local terms energy: -107.717468
where:
bonds (distance) C4'-P energy: -26.801
bonds (distance) P-C4' energy: -26.659
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -224.673000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.673000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.673000 (E_RNA)
where:
Base-Base interactions energy: -112.824
where: short stacking energy: -69.142
Base-Backbone interact. energy: -0.438
local terms energy: -111.410487
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -37.167
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -7.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -601.483654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.483654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.483654 (E_RNA)
where:
Base-Base interactions energy: -412.570
where: short stacking energy: -196.859
Base-Backbone interact. energy: -0.104
local terms energy: -188.809672
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -32.934
flat angles C4'-P-C4' energy: -39.543
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -56.460
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: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -532.991750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.991750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.991750 (E_RNA)
where:
Base-Base interactions energy: -344.915
where: short stacking energy: -169.681
Base-Backbone interact. energy: -0.787
local terms energy: -187.289290
where:
bonds (distance) C4'-P energy: -38.655
bonds (distance) P-C4' energy: -40.338
flat angles C4'-P-C4' energy: -38.509
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -41.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -533.978940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.978940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.978940 (E_RNA)
where:
Base-Base interactions energy: -347.290
where: short stacking energy: -159.070
Base-Backbone interact. energy: -3.019
local terms energy: -183.669390
where:
bonds (distance) C4'-P energy: -39.102
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -50.027
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: 123
Temperature: 1.050000
Total energy: -445.013802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.013802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.013802 (E_RNA)
where:
Base-Base interactions energy: -287.651
where: short stacking energy: -140.045
Base-Backbone interact. energy: -0.330
local terms energy: -157.033319
where:
bonds (distance) C4'-P energy: -38.157
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -28.192
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -36.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -428.175886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.175886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.175886 (E_RNA)
where:
Base-Base interactions energy: -268.277
where: short stacking energy: -131.005
Base-Backbone interact. energy: 2.533
local terms energy: -162.431982
where:
bonds (distance) C4'-P energy: -31.592
bonds (distance) P-C4' energy: -28.909
flat angles C4'-P-C4' energy: -35.213
flat angles P-C4'-P energy: -29.011
tors. eta vs tors. theta energy: -37.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -343.932829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.932829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.932829 (E_RNA)
where:
Base-Base interactions energy: -194.031
where: short stacking energy: -108.427
Base-Backbone interact. energy: -0.524
local terms energy: -149.378462
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -35.125
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -27.194
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: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -351.569411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.569411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.569411 (E_RNA)
where:
Base-Base interactions energy: -209.213
where: short stacking energy: -109.716
Base-Backbone interact. energy: -0.864
local terms energy: -141.492277
where:
bonds (distance) C4'-P energy: -33.326
bonds (distance) P-C4' energy: -31.790
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -24.478
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: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -248.409071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.409071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.409071 (E_RNA)
where:
Base-Base interactions energy: -135.345
where: short stacking energy: -87.218
Base-Backbone interact. energy: 0.095
local terms energy: -113.159287
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -30.474
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -231.504148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.504148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.504148 (E_RNA)
where:
Base-Base interactions energy: -124.445
where: short stacking energy: -77.358
Base-Backbone interact. energy: -0.307
local terms energy: -106.751581
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -32.924
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -213.073097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.073097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.073097 (E_RNA)
where:
Base-Base interactions energy: -117.522
where: short stacking energy: -73.638
Base-Backbone interact. energy: -1.038
local terms energy: -94.513494
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -597.025107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.025107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.025107 (E_RNA)
where:
Base-Base interactions energy: -397.875
where: short stacking energy: -186.175
Base-Backbone interact. energy: 1.291
local terms energy: -200.441207
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -26.804
tors. eta vs tors. theta energy: -56.780
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: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -540.917062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.917062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.917062 (E_RNA)
where:
Base-Base interactions energy: -361.747
where: short stacking energy: -168.924
Base-Backbone interact. energy: -0.692
local terms energy: -178.478033
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -46.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -546.640873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.640873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.640873 (E_RNA)
where:
Base-Base interactions energy: -378.257
where: short stacking energy: -171.768
Base-Backbone interact. energy: -0.554
local terms energy: -167.829946
where:
bonds (distance) C4'-P energy: -32.301
bonds (distance) P-C4' energy: -33.370
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -442.591587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.591587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.591587 (E_RNA)
where:
Base-Base interactions energy: -288.582
where: short stacking energy: -141.761
Base-Backbone interact. energy: -0.796
local terms energy: -153.213811
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -32.628
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -35.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -452.786153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.786153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.786153 (E_RNA)
where:
Base-Base interactions energy: -298.878
where: short stacking energy: -150.453
Base-Backbone interact. energy: -1.283
local terms energy: -152.624400
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -26.095
flat angles C4'-P-C4' energy: -34.616
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -40.993
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: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -332.871571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.871571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.871571 (E_RNA)
where:
Base-Base interactions energy: -193.667
where: short stacking energy: -93.277
Base-Backbone interact. energy: -0.280
local terms energy: -138.923959
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -31.088
flat angles P-C4'-P energy: -26.849
tors. eta vs tors. theta energy: -15.356
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: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -346.366753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.366753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.366753 (E_RNA)
where:
Base-Base interactions energy: -215.622
where: short stacking energy: -100.304
Base-Backbone interact. energy: -1.303
local terms energy: -129.441255
where:
bonds (distance) C4'-P energy: -33.817
bonds (distance) P-C4' energy: -32.856
flat angles C4'-P-C4' energy: -26.573
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -282.754995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.754995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.754995 (E_RNA)
where:
Base-Base interactions energy: -164.776
where: short stacking energy: -79.259
Base-Backbone interact. energy: -0.700
local terms energy: -117.279104
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -31.994
flat angles C4'-P-C4' energy: -33.609
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -256.512797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.512797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.512797 (E_RNA)
where:
Base-Base interactions energy: -136.884
where: short stacking energy: -83.275
Base-Backbone interact. energy: 0.266
local terms energy: -119.895220
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -23.248
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -229.881082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.881082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.881082 (E_RNA)
where:
Base-Base interactions energy: -133.660
where: short stacking energy: -75.021
Base-Backbone interact. energy: 1.602
local terms energy: -97.822908
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -30.652
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -0.982
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: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -599.945745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.945745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.945745 (E_RNA)
where:
Base-Base interactions energy: -400.037
where: short stacking energy: -202.366
Base-Backbone interact. energy: -0.104
local terms energy: -199.804216
where:
bonds (distance) C4'-P energy: -35.693
bonds (distance) P-C4' energy: -39.016
flat angles C4'-P-C4' energy: -37.483
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -59.100
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: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -561.026527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.026527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.026527 (E_RNA)
where:
Base-Base interactions energy: -374.575
where: short stacking energy: -189.264
Base-Backbone interact. energy: -1.391
local terms energy: -185.061037
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -38.309
flat angles C4'-P-C4' energy: -37.191
flat angles P-C4'-P energy: -25.828
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: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -538.319181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.319181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.319181 (E_RNA)
where:
Base-Base interactions energy: -361.448
where: short stacking energy: -169.867
Base-Backbone interact. energy: -0.756
local terms energy: -176.115316
where:
bonds (distance) C4'-P energy: -29.158
bonds (distance) P-C4' energy: -37.907
flat angles C4'-P-C4' energy: -36.851
flat angles P-C4'-P energy: -28.466
tors. eta vs tors. theta energy: -43.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -476.835048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.835048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.835048 (E_RNA)
where:
Base-Base interactions energy: -318.089
where: short stacking energy: -157.127
Base-Backbone interact. energy: 2.203
local terms energy: -160.948867
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -38.284
flat angles C4'-P-C4' energy: -34.394
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -431.320700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.320700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.320700 (E_RNA)
where:
Base-Base interactions energy: -278.375
where: short stacking energy: -149.017
Base-Backbone interact. energy: 2.152
local terms energy: -155.097711
where:
bonds (distance) C4'-P energy: -34.974
bonds (distance) P-C4' energy: -28.066
flat angles C4'-P-C4' energy: -31.222
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -42.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -344.944086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.944086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.944086 (E_RNA)
where:
Base-Base interactions energy: -200.869
where: short stacking energy: -112.083
Base-Backbone interact. energy: -2.141
local terms energy: -141.933890
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -34.133
flat angles C4'-P-C4' energy: -40.030
flat angles P-C4'-P energy: -24.692
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: 7, replica: 4
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -349.985958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.985958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.985958 (E_RNA)
where:
Base-Base interactions energy: -214.690
where: short stacking energy: -106.997
Base-Backbone interact. energy: -0.158
local terms energy: -135.138358
where:
bonds (distance) C4'-P energy: -28.383
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -18.513
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -315.418578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.418578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.418578 (E_RNA)
where:
Base-Base interactions energy: -189.823
where: short stacking energy: -88.592
Base-Backbone interact. energy: 0.310
local terms energy: -125.905478
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -32.226
flat angles C4'-P-C4' energy: -31.487
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -305.345301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.345301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.345301 (E_RNA)
where:
Base-Base interactions energy: -197.718
where: short stacking energy: -101.349
Base-Backbone interact. energy: -0.794
local terms energy: -106.833840
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -26.155
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -23.569
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: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -233.721321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.721321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.721321 (E_RNA)
where:
Base-Base interactions energy: -121.602
where: short stacking energy: -71.763
Base-Backbone interact. energy: -1.228
local terms energy: -110.891231
where:
bonds (distance) C4'-P energy: -28.953
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -27.928
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -585.109933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.109933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.109933 (E_RNA)
where:
Base-Base interactions energy: -397.439
where: short stacking energy: -188.574
Base-Backbone interact. energy: 0.654
local terms energy: -188.325239
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -36.406
flat angles C4'-P-C4' energy: -38.485
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -55.328
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: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -558.048537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.048537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.048537 (E_RNA)
where:
Base-Base interactions energy: -376.429
where: short stacking energy: -180.704
Base-Backbone interact. energy: -0.312
local terms energy: -181.307635
where:
bonds (distance) C4'-P energy: -38.312
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -19.938
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: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -527.294162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.294162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.294162 (E_RNA)
where:
Base-Base interactions energy: -350.688
where: short stacking energy: -170.544
Base-Backbone interact. energy: -0.485
local terms energy: -176.121631
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -32.897
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -28.483
tors. eta vs tors. theta energy: -47.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -466.145003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.145003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.145003 (E_RNA)
where:
Base-Base interactions energy: -298.211
where: short stacking energy: -144.859
Base-Backbone interact. energy: 2.191
local terms energy: -170.124695
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -41.171
flat angles P-C4'-P energy: -24.281
tors. eta vs tors. theta energy: -37.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -438.695558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.695558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.695558 (E_RNA)
where:
Base-Base interactions energy: -283.673
where: short stacking energy: -135.567
Base-Backbone interact. energy: -0.903
local terms energy: -154.120013
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -24.318
tors. eta vs tors. theta energy: -36.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -360.858174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.858174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.858174 (E_RNA)
where:
Base-Base interactions energy: -223.472
where: short stacking energy: -104.638
Base-Backbone interact. energy: -0.234
local terms energy: -137.151702
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -33.284
flat angles C4'-P-C4' energy: -37.063
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -336.708674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.708674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.708674 (E_RNA)
where:
Base-Base interactions energy: -200.728
where: short stacking energy: -105.732
Base-Backbone interact. energy: 0.097
local terms energy: -136.077399
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -23.750
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: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -310.732526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.732526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.732526 (E_RNA)
where:
Base-Base interactions energy: -186.780
where: short stacking energy: -89.614
Base-Backbone interact. energy: 0.435
local terms energy: -124.386803
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -18.785
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: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -303.949334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.949334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.949334 (E_RNA)
where:
Base-Base interactions energy: -184.710
where: short stacking energy: -77.223
Base-Backbone interact. energy: -0.241
local terms energy: -118.998064
where:
bonds (distance) C4'-P energy: -33.119
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -225.572205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.572205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.572205 (E_RNA)
where:
Base-Base interactions energy: -124.560
where: short stacking energy: -78.085
Base-Backbone interact. energy: 3.744
local terms energy: -104.756098
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -30.141
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -20.495
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -607.671242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.671242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.671242 (E_RNA)
where:
Base-Base interactions energy: -413.426
where: short stacking energy: -195.912
Base-Backbone interact. energy: -0.099
local terms energy: -194.146242
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -55.563
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: 127
Temperature: 0.950000
Total energy: -538.974962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.974962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.974962 (E_RNA)
where:
Base-Base interactions energy: -361.609
where: short stacking energy: -178.476
Base-Backbone interact. energy: -0.407
local terms energy: -176.959102
where:
bonds (distance) C4'-P energy: -33.729
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -41.467
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -47.283
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: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -509.047348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.047348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.047348 (E_RNA)
where:
Base-Base interactions energy: -344.308
where: short stacking energy: -159.925
Base-Backbone interact. energy: -0.009
local terms energy: -164.729969
where:
bonds (distance) C4'-P energy: -34.118
bonds (distance) P-C4' energy: -30.169
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -46.210
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: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -449.915906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.915906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.915906 (E_RNA)
where:
Base-Base interactions energy: -277.226
where: short stacking energy: -141.355
Base-Backbone interact. energy: -0.399
local terms energy: -172.290499
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -48.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -471.301518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.301518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.301518 (E_RNA)
where:
Base-Base interactions energy: -314.453
where: short stacking energy: -145.359
Base-Backbone interact. energy: 0.568
local terms energy: -157.417069
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -34.773
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -359.438999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.438999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.438999 (E_RNA)
where:
Base-Base interactions energy: -227.320
where: short stacking energy: -108.273
Base-Backbone interact. energy: 0.275
local terms energy: -132.394313
where:
bonds (distance) C4'-P energy: -31.653
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -34.162
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -316.094042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.094042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.094042 (E_RNA)
where:
Base-Base interactions energy: -189.584
where: short stacking energy: -96.289
Base-Backbone interact. energy: 1.430
local terms energy: -127.940288
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -26.194
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -17.203
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: 127
Temperature: 1.250000
Total energy: -329.420155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.420155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.420155 (E_RNA)
where:
Base-Base interactions energy: -210.288
where: short stacking energy: -91.080
Base-Backbone interact. energy: 1.762
local terms energy: -120.894534
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -34.804
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -10.101
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: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -284.380513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.380513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.380513 (E_RNA)
where:
Base-Base interactions energy: -161.891
where: short stacking energy: -87.815
Base-Backbone interact. energy: -0.274
local terms energy: -122.214992
where:
bonds (distance) C4'-P energy: -36.856
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -25.852
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -14.613
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: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -242.489125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.489125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.489125 (E_RNA)
where:
Base-Base interactions energy: -138.813
where: short stacking energy: -83.320
Base-Backbone interact. energy: 0.777
local terms energy: -104.453444
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -16.051
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: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -594.622071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.622071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.622071 (E_RNA)
where:
Base-Base interactions energy: -403.048
where: short stacking energy: -198.517
Base-Backbone interact. energy: -0.073
local terms energy: -191.501078
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -31.473
flat angles C4'-P-C4' energy: -41.157
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -57.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -538.863647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.863647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.863647 (E_RNA)
where:
Base-Base interactions energy: -356.209
where: short stacking energy: -165.972
Base-Backbone interact. energy: -0.434
local terms energy: -182.220846
where:
bonds (distance) C4'-P energy: -37.230
bonds (distance) P-C4' energy: -38.096
flat angles C4'-P-C4' energy: -36.660
flat angles P-C4'-P energy: -27.210
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -528.145568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.145568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.145568 (E_RNA)
where:
Base-Base interactions energy: -362.897
where: short stacking energy: -160.559
Base-Backbone interact. energy: -0.513
local terms energy: -164.736076
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -44.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -435.075623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.075623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.075623 (E_RNA)
where:
Base-Base interactions energy: -265.131
where: short stacking energy: -133.832
Base-Backbone interact. energy: 3.037
local terms energy: -172.981685
where:
bonds (distance) C4'-P energy: -34.476
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -31.926
flat angles P-C4'-P energy: -27.999
tors. eta vs tors. theta energy: -40.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -456.831246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.831246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.831246 (E_RNA)
where:
Base-Base interactions energy: -302.957
where: short stacking energy: -144.131
Base-Backbone interact. energy: -0.737
local terms energy: -153.137409
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -33.335
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -40.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -384.476802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.476802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.476802 (E_RNA)
where:
Base-Base interactions energy: -248.546
where: short stacking energy: -110.831
Base-Backbone interact. energy: -0.991
local terms energy: -134.939858
where:
bonds (distance) C4'-P energy: -34.791
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -33.130
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -332.537364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.537364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.537364 (E_RNA)
where:
Base-Base interactions energy: -196.095
where: short stacking energy: -112.685
Base-Backbone interact. energy: -0.184
local terms energy: -136.259308
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -36.111
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -306.468107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.468107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.468107 (E_RNA)
where:
Base-Base interactions energy: -185.935
where: short stacking energy: -88.611
Base-Backbone interact. energy: -0.859
local terms energy: -119.673812
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -25.506
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -12.861
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: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -300.676834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.676834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.676834 (E_RNA)
where:
Base-Base interactions energy: -184.293
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.665
local terms energy: -115.718708
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -29.027
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -229.307314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.307314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.307314 (E_RNA)
where:
Base-Base interactions energy: -117.574
where: short stacking energy: -76.683
Base-Backbone interact. energy: -0.124
local terms energy: -111.609544
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -29.050
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -597.485243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.485243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.485243 (E_RNA)
where:
Base-Base interactions energy: -396.824
where: short stacking energy: -199.789
Base-Backbone interact. energy: -0.035
local terms energy: -200.626436
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -28.604
tors. eta vs tors. theta energy: -59.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -547.925371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.925371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.925371 (E_RNA)
where:
Base-Base interactions energy: -371.214
where: short stacking energy: -177.011
Base-Backbone interact. energy: -0.180
local terms energy: -176.531023
where:
bonds (distance) C4'-P energy: -36.353
bonds (distance) P-C4' energy: -28.438
flat angles C4'-P-C4' energy: -42.056
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -48.954
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: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -530.569199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.569199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.569199 (E_RNA)
where:
Base-Base interactions energy: -359.638
where: short stacking energy: -183.999
Base-Backbone interact. energy: -2.428
local terms energy: -168.503324
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -31.780
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -46.133
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: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -474.284154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.284154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.284154 (E_RNA)
where:
Base-Base interactions energy: -310.760
where: short stacking energy: -147.182
Base-Backbone interact. energy: -2.482
local terms energy: -161.041990
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -34.017
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -38.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -432.765182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.765182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.765182 (E_RNA)
where:
Base-Base interactions energy: -275.372
where: short stacking energy: -142.989
Base-Backbone interact. energy: 0.105
local terms energy: -157.498239
where:
bonds (distance) C4'-P energy: -32.417
bonds (distance) P-C4' energy: -31.779
flat angles C4'-P-C4' energy: -36.646
flat angles P-C4'-P energy: -25.049
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: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -400.038237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.038237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.038237 (E_RNA)
where:
Base-Base interactions energy: -271.639
where: short stacking energy: -135.350
Base-Backbone interact. energy: -0.974
local terms energy: -127.425449
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -27.834
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: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -343.316651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.316651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.316651 (E_RNA)
where:
Base-Base interactions energy: -220.381
where: short stacking energy: -100.529
Base-Backbone interact. energy: -0.271
local terms energy: -122.664443
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -295.654667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.654667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.654667 (E_RNA)
where:
Base-Base interactions energy: -185.657
where: short stacking energy: -89.447
Base-Backbone interact. energy: -0.497
local terms energy: -109.501208
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -28.989
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -294.030735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.030735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.030735 (E_RNA)
where:
Base-Base interactions energy: -161.140
where: short stacking energy: -81.823
Base-Backbone interact. energy: -1.538
local terms energy: -131.352656
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -35.052
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -18.068
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: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -237.540583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.540583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.540583 (E_RNA)
where:
Base-Base interactions energy: -121.172
where: short stacking energy: -74.271
Base-Backbone interact. energy: 3.646
local terms energy: -120.013989
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -597.611872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.611872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.611872 (E_RNA)
where:
Base-Base interactions energy: -406.347
where: short stacking energy: -196.161
Base-Backbone interact. energy: -0.168
local terms energy: -191.096857
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -58.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -554.025972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.025972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.025972 (E_RNA)
where:
Base-Base interactions energy: -363.716
where: short stacking energy: -169.932
Base-Backbone interact. energy: -0.694
local terms energy: -189.616495
where:
bonds (distance) C4'-P energy: -38.029
bonds (distance) P-C4' energy: -37.954
flat angles C4'-P-C4' energy: -41.905
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: -44.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -471.259043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.259043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.259043 (E_RNA)
where:
Base-Base interactions energy: -311.660
where: short stacking energy: -157.894
Base-Backbone interact. energy: -0.487
local terms energy: -159.111829
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -36.127
flat angles C4'-P-C4' energy: -29.682
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -38.789
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: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -521.937966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.937966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.937966 (E_RNA)
where:
Base-Base interactions energy: -343.866
where: short stacking energy: -162.779
Base-Backbone interact. energy: -1.924
local terms energy: -176.147492
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -40.055
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -46.959
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: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -430.018314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.018314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.018314 (E_RNA)
where:
Base-Base interactions energy: -274.456
where: short stacking energy: -134.741
Base-Backbone interact. energy: 0.097
local terms energy: -155.658585
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -33.579
flat angles C4'-P-C4' energy: -35.130
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -37.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -351.389756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.389756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.389756 (E_RNA)
where:
Base-Base interactions energy: -204.895
where: short stacking energy: -114.882
Base-Backbone interact. energy: -0.248
local terms energy: -146.247434
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -27.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -334.062592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.062592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.062592 (E_RNA)
where:
Base-Base interactions energy: -209.227
where: short stacking energy: -99.651
Base-Backbone interact. energy: 0.145
local terms energy: -124.980984
where:
bonds (distance) C4'-P energy: -34.736
bonds (distance) P-C4' energy: -33.098
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -21.292
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: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -332.190758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.190758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.190758 (E_RNA)
where:
Base-Base interactions energy: -212.048
where: short stacking energy: -95.117
Base-Backbone interact. energy: -1.801
local terms energy: -118.341987
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -16.864
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: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -279.003809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.003809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.003809 (E_RNA)
where:
Base-Base interactions energy: -164.294
where: short stacking energy: -88.577
Base-Backbone interact. energy: -0.601
local terms energy: -114.108976
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -28.688
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -220.918577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.918577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.918577 (E_RNA)
where:
Base-Base interactions energy: -111.427
where: short stacking energy: -69.382
Base-Backbone interact. energy: 0.073
local terms energy: -109.564076
where:
bonds (distance) C4'-P energy: -30.668
bonds (distance) P-C4' energy: -37.829
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -592.744593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.744593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.744593 (E_RNA)
where:
Base-Base interactions energy: -398.403
where: short stacking energy: -185.560
Base-Backbone interact. energy: -0.274
local terms energy: -194.068088
where:
bonds (distance) C4'-P energy: -38.228
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -41.526
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -51.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -520.863096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.863096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.863096 (E_RNA)
where:
Base-Base interactions energy: -343.763
where: short stacking energy: -170.967
Base-Backbone interact. energy: -1.560
local terms energy: -175.539494
where:
bonds (distance) C4'-P energy: -27.788
bonds (distance) P-C4' energy: -34.204
flat angles C4'-P-C4' energy: -40.099
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -478.634377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.634377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.634377 (E_RNA)
where:
Base-Base interactions energy: -320.395
where: short stacking energy: -157.514
Base-Backbone interact. energy: -0.051
local terms energy: -158.188277
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -28.108
flat angles C4'-P-C4' energy: -35.009
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -37.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -507.300616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.300616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.300616 (E_RNA)
where:
Base-Base interactions energy: -349.456
where: short stacking energy: -153.872
Base-Backbone interact. energy: 1.876
local terms energy: -159.719733
where:
bonds (distance) C4'-P energy: -31.537
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -38.456
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -39.507
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: 131
Temperature: 1.100000
Total energy: -429.585836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.585836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.585836 (E_RNA)
where:
Base-Base interactions energy: -276.706
where: short stacking energy: -141.765
Base-Backbone interact. energy: -0.203
local terms energy: -152.676870
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -36.397
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: -38.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -364.948021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.948021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.948021 (E_RNA)
where:
Base-Base interactions energy: -231.601
where: short stacking energy: -102.769
Base-Backbone interact. energy: -0.713
local terms energy: -132.633476
where:
bonds (distance) C4'-P energy: -34.810
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -324.235775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.235775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.235775 (E_RNA)
where:
Base-Base interactions energy: -194.865
where: short stacking energy: -98.001
Base-Backbone interact. energy: 0.809
local terms energy: -130.179582
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -33.286
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -25.372
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: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -322.271785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.271785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.271785 (E_RNA)
where:
Base-Base interactions energy: -212.178
where: short stacking energy: -91.245
Base-Backbone interact. energy: 3.167
local terms energy: -113.260161
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -36.267
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -280.853787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.853787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.853787 (E_RNA)
where:
Base-Base interactions energy: -163.954
where: short stacking energy: -80.553
Base-Backbone interact. energy: -0.889
local terms energy: -116.010768
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -30.184
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -10.240
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: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -224.025703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.025703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.025703 (E_RNA)
where:
Base-Base interactions energy: -100.911
where: short stacking energy: -60.500
Base-Backbone interact. energy: -0.736
local terms energy: -122.379276
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -31.257
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -585.815436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.815436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.815436 (E_RNA)
where:
Base-Base interactions energy: -399.217
where: short stacking energy: -180.817
Base-Backbone interact. energy: -0.336
local terms energy: -186.262148
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -36.732
flat angles C4'-P-C4' energy: -37.454
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -52.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -528.517675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.517675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.517675 (E_RNA)
where:
Base-Base interactions energy: -349.737
where: short stacking energy: -167.667
Base-Backbone interact. energy: -0.092
local terms energy: -178.688602
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -34.843
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -50.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -533.544205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.544205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.544205 (E_RNA)
where:
Base-Base interactions energy: -351.865
where: short stacking energy: -177.370
Base-Backbone interact. energy: -0.481
local terms energy: -181.198353
where:
bonds (distance) C4'-P energy: -33.335
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -54.516
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: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -469.110723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.110723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.110723 (E_RNA)
where:
Base-Base interactions energy: -303.953
where: short stacking energy: -147.142
Base-Backbone interact. energy: -0.279
local terms energy: -164.878658
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -36.657
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -40.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -443.548120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.548120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.548120 (E_RNA)
where:
Base-Base interactions energy: -274.020
where: short stacking energy: -146.851
Base-Backbone interact. energy: -0.163
local terms energy: -169.365392
where:
bonds (distance) C4'-P energy: -34.385
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -37.355
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -40.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -356.817284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.817284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.817284 (E_RNA)
where:
Base-Base interactions energy: -241.872
where: short stacking energy: -113.545
Base-Backbone interact. energy: -0.656
local terms energy: -114.288921
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -353.684558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.684558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.684558 (E_RNA)
where:
Base-Base interactions energy: -228.191
where: short stacking energy: -93.679
Base-Backbone interact. energy: -0.310
local terms energy: -125.183869
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -305.051729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.051729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.051729 (E_RNA)
where:
Base-Base interactions energy: -179.704
where: short stacking energy: -91.369
Base-Backbone interact. energy: 3.009
local terms energy: -128.357382
where:
bonds (distance) C4'-P energy: -35.301
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -33.585
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -280.796856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.796856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.796856 (E_RNA)
where:
Base-Base interactions energy: -170.975
where: short stacking energy: -79.393
Base-Backbone interact. energy: 1.716
local terms energy: -111.537355
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -33.286
flat angles C4'-P-C4' energy: -28.923
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -230.106529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.106529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.106529 (E_RNA)
where:
Base-Base interactions energy: -132.970
where: short stacking energy: -75.276
Base-Backbone interact. energy: 1.518
local terms energy: -98.654662
where:
bonds (distance) C4'-P energy: -26.101
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -25.456
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -587.640183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.640183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.640183 (E_RNA)
where:
Base-Base interactions energy: -392.635
where: short stacking energy: -185.569
Base-Backbone interact. energy: -0.345
local terms energy: -194.660320
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -34.266
flat angles C4'-P-C4' energy: -42.110
flat angles P-C4'-P energy: -31.827
tors. eta vs tors. theta energy: -52.565
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: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -546.392470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.392470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.392470 (E_RNA)
where:
Base-Base interactions energy: -374.989
where: short stacking energy: -171.148
Base-Backbone interact. energy: 0.208
local terms energy: -171.610788
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -43.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -528.226609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.226609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.226609 (E_RNA)
where:
Base-Base interactions energy: -347.856
where: short stacking energy: -185.372
Base-Backbone interact. energy: -0.099
local terms energy: -180.271097
where:
bonds (distance) C4'-P energy: -29.129
bonds (distance) P-C4' energy: -38.165
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -23.677
tors. eta vs tors. theta energy: -53.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -455.597740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.597740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.597740 (E_RNA)
where:
Base-Base interactions energy: -282.377
where: short stacking energy: -145.442
Base-Backbone interact. energy: -0.210
local terms energy: -173.010914
where:
bonds (distance) C4'-P energy: -35.060
bonds (distance) P-C4' energy: -36.715
flat angles C4'-P-C4' energy: -31.096
flat angles P-C4'-P energy: -26.194
tors. eta vs tors. theta energy: -43.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -461.768136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.768136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.768136 (E_RNA)
where:
Base-Base interactions energy: -301.785
where: short stacking energy: -144.937
Base-Backbone interact. energy: -0.418
local terms energy: -159.565238
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -38.368
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -40.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -391.052026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.052026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.052026 (E_RNA)
where:
Base-Base interactions energy: -251.611
where: short stacking energy: -121.458
Base-Backbone interact. energy: -0.940
local terms energy: -138.501011
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -25.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -359.184105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.184105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.184105 (E_RNA)
where:
Base-Base interactions energy: -229.556
where: short stacking energy: -116.341
Base-Backbone interact. energy: -0.224
local terms energy: -129.403257
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -27.612
flat angles C4'-P-C4' energy: -31.656
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -305.964856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.964856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.964856 (E_RNA)
where:
Base-Base interactions energy: -193.065
where: short stacking energy: -104.961
Base-Backbone interact. energy: 0.030
local terms energy: -112.929760
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -27.869
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -12.509
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: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -325.802256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.802256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.802256 (E_RNA)
where:
Base-Base interactions energy: -195.468
where: short stacking energy: -106.480
Base-Backbone interact. energy: -0.790
local terms energy: -129.544753
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -28.113
flat angles C4'-P-C4' energy: -33.960
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -221.205971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.205971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.205971 (E_RNA)
where:
Base-Base interactions energy: -108.738
where: short stacking energy: -55.983
Base-Backbone interact. energy: -0.254
local terms energy: -112.213808
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -581.453258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.453258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.453258 (E_RNA)
where:
Base-Base interactions energy: -402.143
where: short stacking energy: -179.778
Base-Backbone interact. energy: 1.596
local terms energy: -180.905688
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -36.552
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -52.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -541.093064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.093064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.093064 (E_RNA)
where:
Base-Base interactions energy: -358.879
where: short stacking energy: -173.320
Base-Backbone interact. energy: -0.476
local terms energy: -181.737817
where:
bonds (distance) C4'-P energy: -32.146
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -43.290
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -50.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -521.069594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.069594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.069594 (E_RNA)
where:
Base-Base interactions energy: -343.277
where: short stacking energy: -170.425
Base-Backbone interact. energy: -0.020
local terms energy: -177.772323
where:
bonds (distance) C4'-P energy: -32.935
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -40.761
flat angles P-C4'-P energy: -25.953
tors. eta vs tors. theta energy: -46.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -444.276415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.276415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.276415 (E_RNA)
where:
Base-Base interactions energy: -286.199
where: short stacking energy: -148.660
Base-Backbone interact. energy: -0.287
local terms energy: -157.790391
where:
bonds (distance) C4'-P energy: -32.437
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: -45.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -461.636789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.636789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.636789 (E_RNA)
where:
Base-Base interactions energy: -296.563
where: short stacking energy: -147.346
Base-Backbone interact. energy: -0.808
local terms energy: -164.265833
where:
bonds (distance) C4'-P energy: -35.414
bonds (distance) P-C4' energy: -35.669
flat angles C4'-P-C4' energy: -34.543
flat angles P-C4'-P energy: -23.112
tors. eta vs tors. theta energy: -35.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -385.957510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.957510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.957510 (E_RNA)
where:
Base-Base interactions energy: -242.906
where: short stacking energy: -115.790
Base-Backbone interact. energy: 0.244
local terms energy: -143.295076
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -33.750
flat angles C4'-P-C4' energy: -32.534
flat angles P-C4'-P energy: -21.467
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: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -325.773246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.773246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.773246 (E_RNA)
where:
Base-Base interactions energy: -185.943
where: short stacking energy: -93.695
Base-Backbone interact. energy: -1.277
local terms energy: -138.553931
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -30.514
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: -23.236
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: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -333.628216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.628216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.628216 (E_RNA)
where:
Base-Base interactions energy: -205.447
where: short stacking energy: -103.373
Base-Backbone interact. energy: -0.454
local terms energy: -127.726914
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -300.599764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.599764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.599764 (E_RNA)
where:
Base-Base interactions energy: -191.114
where: short stacking energy: -100.463
Base-Backbone interact. energy: -0.037
local terms energy: -109.448411
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -22.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -228.247167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.247167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.247167 (E_RNA)
where:
Base-Base interactions energy: -122.524
where: short stacking energy: -85.592
Base-Backbone interact. energy: 0.664
local terms energy: -106.386909
where:
bonds (distance) C4'-P energy: -28.768
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -577.790469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.790469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.790469 (E_RNA)
where:
Base-Base interactions energy: -389.693
where: short stacking energy: -179.879
Base-Backbone interact. energy: -0.317
local terms energy: -187.780735
where:
bonds (distance) C4'-P energy: -34.533
bonds (distance) P-C4' energy: -37.143
flat angles C4'-P-C4' energy: -39.317
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -52.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -528.041263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.041263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.041263 (E_RNA)
where:
Base-Base interactions energy: -346.095
where: short stacking energy: -177.829
Base-Backbone interact. energy: -0.717
local terms energy: -181.229672
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -37.951
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -48.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -541.983383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.983383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.983383 (E_RNA)
where:
Base-Base interactions energy: -368.172
where: short stacking energy: -173.491
Base-Backbone interact. energy: -0.988
local terms energy: -172.823375
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -50.095
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: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -454.198528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.198528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.198528 (E_RNA)
where:
Base-Base interactions energy: -299.578
where: short stacking energy: -135.961
Base-Backbone interact. energy: 0.165
local terms energy: -154.785084
where:
bonds (distance) C4'-P energy: -31.318
bonds (distance) P-C4' energy: -34.449
flat angles C4'-P-C4' energy: -36.559
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -28.528
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: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -446.501086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.501086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.501086 (E_RNA)
where:
Base-Base interactions energy: -282.507
where: short stacking energy: -137.414
Base-Backbone interact. energy: 0.660
local terms energy: -164.653977
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -36.215
flat angles C4'-P-C4' energy: -37.531
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -38.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -363.175497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.175497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.175497 (E_RNA)
where:
Base-Base interactions energy: -216.593
where: short stacking energy: -108.503
Base-Backbone interact. energy: -0.617
local terms energy: -145.965339
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -32.183
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -24.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -333.205970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.205970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.205970 (E_RNA)
where:
Base-Base interactions energy: -202.465
where: short stacking energy: -96.098
Base-Backbone interact. energy: -0.926
local terms energy: -129.815530
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -34.755
flat angles C4'-P-C4' energy: -28.856
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -341.271222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.271222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.271222 (E_RNA)
where:
Base-Base interactions energy: -208.212
where: short stacking energy: -102.142
Base-Backbone interact. energy: 1.504
local terms energy: -134.563071
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -322.814994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.814994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.814994 (E_RNA)
where:
Base-Base interactions energy: -195.888
where: short stacking energy: -105.708
Base-Backbone interact. energy: 1.037
local terms energy: -127.963382
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -28.509
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -23.016
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: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -234.705030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.705030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.705030 (E_RNA)
where:
Base-Base interactions energy: -111.149
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.457
local terms energy: -123.099255
where:
bonds (distance) C4'-P energy: -35.761
bonds (distance) P-C4' energy: -34.984
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -6.847
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: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -593.550361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.550361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.550361 (E_RNA)
where:
Base-Base interactions energy: -400.563
where: short stacking energy: -196.566
Base-Backbone interact. energy: -0.230
local terms energy: -192.758001
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -35.772
flat angles C4'-P-C4' energy: -41.431
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -56.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -529.929547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.929547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.929547 (E_RNA)
where:
Base-Base interactions energy: -354.513
where: short stacking energy: -177.247
Base-Backbone interact. energy: -0.164
local terms energy: -175.252426
where:
bonds (distance) C4'-P energy: -25.517
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -52.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -547.171424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.171424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.171424 (E_RNA)
where:
Base-Base interactions energy: -366.834
where: short stacking energy: -181.427
Base-Backbone interact. energy: 1.382
local terms energy: -181.720157
where:
bonds (distance) C4'-P energy: -37.222
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -34.268
flat angles P-C4'-P energy: -28.888
tors. eta vs tors. theta energy: -51.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -466.751523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.751523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.751523 (E_RNA)
where:
Base-Base interactions energy: -311.004
where: short stacking energy: -132.962
Base-Backbone interact. energy: -0.292
local terms energy: -155.455757
where:
bonds (distance) C4'-P energy: -25.990
bonds (distance) P-C4' energy: -35.307
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -38.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -455.141122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.141122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.141122 (E_RNA)
where:
Base-Base interactions energy: -291.196
where: short stacking energy: -144.656
Base-Backbone interact. energy: -0.107
local terms energy: -163.838166
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -33.531
flat angles P-C4'-P energy: -22.535
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: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -322.496731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.496731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.496731 (E_RNA)
where:
Base-Base interactions energy: -192.948
where: short stacking energy: -100.868
Base-Backbone interact. energy: -0.173
local terms energy: -129.375539
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -27.215
flat angles C4'-P-C4' energy: -39.070
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -328.431646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.431646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.431646 (E_RNA)
where:
Base-Base interactions energy: -189.370
where: short stacking energy: -90.016
Base-Backbone interact. energy: -0.335
local terms energy: -138.726470
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -321.628720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.628720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.628720 (E_RNA)
where:
Base-Base interactions energy: -204.725
where: short stacking energy: -105.225
Base-Backbone interact. energy: -0.894
local terms energy: -116.010634
where:
bonds (distance) C4'-P energy: -30.239
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -24.406
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -8.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -234.564396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.564396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.564396 (E_RNA)
where:
Base-Base interactions energy: -121.578
where: short stacking energy: -75.373
Base-Backbone interact. energy: 1.640
local terms energy: -114.626386
where:
bonds (distance) C4'-P energy: -29.865
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -24.918
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -281.129587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.129587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.129587 (E_RNA)
where:
Base-Base interactions energy: -170.532
where: short stacking energy: -81.702
Base-Backbone interact. energy: 1.406
local terms energy: -112.003368
where:
bonds (distance) C4'-P energy: -24.628
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -27.325
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -589.793310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.793310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.793310 (E_RNA)
where:
Base-Base interactions energy: -385.042
where: short stacking energy: -189.359
Base-Backbone interact. energy: -0.068
local terms energy: -204.683584
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -38.849
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -57.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -549.073170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.073170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.073170 (E_RNA)
where:
Base-Base interactions energy: -370.408
where: short stacking energy: -182.756
Base-Backbone interact. energy: -0.572
local terms energy: -178.092843
where:
bonds (distance) C4'-P energy: -37.436
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -37.827
flat angles P-C4'-P energy: -26.439
tors. eta vs tors. theta energy: -47.565
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: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -527.644197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.644197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.644197 (E_RNA)
where:
Base-Base interactions energy: -344.530
where: short stacking energy: -168.918
Base-Backbone interact. energy: -0.098
local terms energy: -183.016384
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -41.833
flat angles P-C4'-P energy: -23.233
tors. eta vs tors. theta energy: -47.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -462.410637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.410637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.410637 (E_RNA)
where:
Base-Base interactions energy: -302.798
where: short stacking energy: -152.712
Base-Backbone interact. energy: -0.717
local terms energy: -158.895272
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -32.532
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: -42.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -473.318039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.318039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.318039 (E_RNA)
where:
Base-Base interactions energy: -327.796
where: short stacking energy: -145.233
Base-Backbone interact. energy: -0.964
local terms energy: -144.557505
where:
bonds (distance) C4'-P energy: -31.814
bonds (distance) P-C4' energy: -28.148
flat angles C4'-P-C4' energy: -37.795
flat angles P-C4'-P energy: -16.684
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: 137
Temperature: 1.150000
Total energy: -348.886931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.886931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.886931 (E_RNA)
where:
Base-Base interactions energy: -230.285
where: short stacking energy: -118.753
Base-Backbone interact. energy: -0.248
local terms energy: -118.354818
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -30.039
flat angles C4'-P-C4' energy: -29.682
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -331.886855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.886855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.886855 (E_RNA)
where:
Base-Base interactions energy: -195.727
where: short stacking energy: -97.994
Base-Backbone interact. energy: 1.078
local terms energy: -137.238011
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -28.400
flat angles P-C4'-P energy: -24.465
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: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -312.327133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.327133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.327133 (E_RNA)
where:
Base-Base interactions energy: -192.707
where: short stacking energy: -91.998
Base-Backbone interact. energy: -0.395
local terms energy: -119.225294
where:
bonds (distance) C4'-P energy: -29.492
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -238.904899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.904899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.904899 (E_RNA)
where:
Base-Base interactions energy: -121.052
where: short stacking energy: -72.758
Base-Backbone interact. energy: -0.277
local terms energy: -117.575578
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -37.797
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -293.059651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.059651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.059651 (E_RNA)
where:
Base-Base interactions energy: -176.154
where: short stacking energy: -84.153
Base-Backbone interact. energy: 0.154
local terms energy: -117.059727
where:
bonds (distance) C4'-P energy: -29.182
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -585.014518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.014518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.014518 (E_RNA)
where:
Base-Base interactions energy: -390.216
where: short stacking energy: -191.379
Base-Backbone interact. energy: -0.587
local terms energy: -194.210846
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -38.009
flat angles P-C4'-P energy: -25.795
tors. eta vs tors. theta energy: -52.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -552.264915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.264915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.264915 (E_RNA)
where:
Base-Base interactions energy: -368.018
where: short stacking energy: -181.636
Base-Backbone interact. energy: -0.314
local terms energy: -183.933535
where:
bonds (distance) C4'-P energy: -35.202
bonds (distance) P-C4' energy: -34.103
flat angles C4'-P-C4' energy: -38.470
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -49.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -516.600788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.600788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.600788 (E_RNA)
where:
Base-Base interactions energy: -338.647
where: short stacking energy: -163.180
Base-Backbone interact. energy: 0.438
local terms energy: -178.391769
where:
bonds (distance) C4'-P energy: -32.080
bonds (distance) P-C4' energy: -38.272
flat angles C4'-P-C4' energy: -35.368
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -50.108
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: 138
Temperature: 1.050000
Total energy: -461.116668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.116668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.116668 (E_RNA)
where:
Base-Base interactions energy: -297.843
where: short stacking energy: -145.772
Base-Backbone interact. energy: -0.263
local terms energy: -163.010012
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -38.604
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -41.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -451.576416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.576416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.576416 (E_RNA)
where:
Base-Base interactions energy: -297.021
where: short stacking energy: -125.420
Base-Backbone interact. energy: -1.164
local terms energy: -153.390988
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -36.366
flat angles C4'-P-C4' energy: -34.554
flat angles P-C4'-P energy: -24.917
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: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -342.944664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.944664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.944664 (E_RNA)
where:
Base-Base interactions energy: -218.244
where: short stacking energy: -105.098
Base-Backbone interact. energy: -1.116
local terms energy: -123.584997
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -31.860
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -18.259
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: 138
Temperature: 1.200000
Total energy: -315.726786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.726786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.726786 (E_RNA)
where:
Base-Base interactions energy: -187.498
where: short stacking energy: -101.802
Base-Backbone interact. energy: -1.657
local terms energy: -126.571610
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -37.638
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -23.436
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: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -315.418752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.418752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.418752 (E_RNA)
where:
Base-Base interactions energy: -198.592
where: short stacking energy: -106.546
Base-Backbone interact. energy: -0.545
local terms energy: -116.280961
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -37.177
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -28.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -302.052775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.052775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.052775 (E_RNA)
where:
Base-Base interactions energy: -185.660
where: short stacking energy: -96.363
Base-Backbone interact. energy: -0.190
local terms energy: -116.202970
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -19.267
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -227.149044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.149044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.149044 (E_RNA)
where:
Base-Base interactions energy: -119.140
where: short stacking energy: -69.007
Base-Backbone interact. energy: -0.611
local terms energy: -107.397568
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -25.862
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -593.197760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.197760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.197760 (E_RNA)
where:
Base-Base interactions energy: -389.468
where: short stacking energy: -184.346
Base-Backbone interact. energy: -0.023
local terms energy: -203.707212
where:
bonds (distance) C4'-P energy: -39.088
bonds (distance) P-C4' energy: -36.795
flat angles C4'-P-C4' energy: -40.062
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: -57.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -535.491808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.491808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.491808 (E_RNA)
where:
Base-Base interactions energy: -369.321
where: short stacking energy: -177.963
Base-Backbone interact. energy: -0.402
local terms energy: -165.768802
where:
bonds (distance) C4'-P energy: -27.591
bonds (distance) P-C4' energy: -22.888
flat angles C4'-P-C4' energy: -39.489
flat angles P-C4'-P energy: -23.242
tors. eta vs tors. theta energy: -52.559
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -543.787490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.787490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.787490 (E_RNA)
where:
Base-Base interactions energy: -368.335
where: short stacking energy: -182.463
Base-Backbone interact. energy: -0.382
local terms energy: -175.069867
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -33.950
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -50.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -478.935011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.935011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.935011 (E_RNA)
where:
Base-Base interactions energy: -310.994
where: short stacking energy: -148.557
Base-Backbone interact. energy: -0.060
local terms energy: -167.881207
where:
bonds (distance) C4'-P energy: -32.974
bonds (distance) P-C4' energy: -33.712
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -39.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -467.000553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.000553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.000553 (E_RNA)
where:
Base-Base interactions energy: -306.688
where: short stacking energy: -138.031
Base-Backbone interact. energy: 1.294
local terms energy: -161.606700
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -35.565
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -29.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -373.663823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.663823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.663823 (E_RNA)
where:
Base-Base interactions energy: -226.895
where: short stacking energy: -118.302
Base-Backbone interact. energy: -0.279
local terms energy: -146.490519
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -30.856
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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -338.217633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.217633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.217633 (E_RNA)
where:
Base-Base interactions energy: -204.892
where: short stacking energy: -110.366
Base-Backbone interact. energy: -0.442
local terms energy: -132.883893
where:
bonds (distance) C4'-P energy: -31.611
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -32.696
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -354.178316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.178316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.178316 (E_RNA)
where:
Base-Base interactions energy: -205.929
where: short stacking energy: -94.218
Base-Backbone interact. energy: -0.402
local terms energy: -147.846914
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -36.873
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -23.541
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: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -286.361550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.361550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.361550 (E_RNA)
where:
Base-Base interactions energy: -164.874
where: short stacking energy: -83.326
Base-Backbone interact. energy: -0.711
local terms energy: -120.777029
where:
bonds (distance) C4'-P energy: -26.625
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -11.132
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -235.364941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.364941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.364941 (E_RNA)
where:
Base-Base interactions energy: -120.207
where: short stacking energy: -75.768
Base-Backbone interact. energy: 3.310
local terms energy: -118.468593
where:
bonds (distance) C4'-P energy: -30.337
bonds (distance) P-C4' energy: -35.763
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -552.498213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.498213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.498213 (E_RNA)
where:
Base-Base interactions energy: -366.622
where: short stacking energy: -175.656
Base-Backbone interact. energy: -0.073
local terms energy: -185.802890
where:
bonds (distance) C4'-P energy: -38.158
bonds (distance) P-C4' energy: -37.477
flat angles C4'-P-C4' energy: -33.529
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -51.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -586.615970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.615970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.615970 (E_RNA)
where:
Base-Base interactions energy: -396.902
where: short stacking energy: -189.059
Base-Backbone interact. energy: -0.547
local terms energy: -189.167113
where:
bonds (distance) C4'-P energy: -36.397
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -40.734
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: -57.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -535.125762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.125762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.125762 (E_RNA)
where:
Base-Base interactions energy: -359.676
where: short stacking energy: -169.647
Base-Backbone interact. energy: -0.398
local terms energy: -175.051816
where:
bonds (distance) C4'-P energy: -33.631
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -38.838
flat angles P-C4'-P energy: -29.961
tors. eta vs tors. theta energy: -46.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -448.226329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.226329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.226329 (E_RNA)
where:
Base-Base interactions energy: -290.335
where: short stacking energy: -146.609
Base-Backbone interact. energy: -0.089
local terms energy: -157.801815
where:
bonds (distance) C4'-P energy: -29.794
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -37.024
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: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -459.881765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.881765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.881765 (E_RNA)
where:
Base-Base interactions energy: -311.275
where: short stacking energy: -133.703
Base-Backbone interact. energy: 0.416
local terms energy: -149.023148
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -31.500
flat angles C4'-P-C4' energy: -31.100
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -30.786
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: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -355.014404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.014404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.014404 (E_RNA)
where:
Base-Base interactions energy: -223.059
where: short stacking energy: -106.442
Base-Backbone interact. energy: 1.108
local terms energy: -133.063956
where:
bonds (distance) C4'-P energy: -30.517
bonds (distance) P-C4' energy: -26.837
flat angles C4'-P-C4' energy: -31.916
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -361.070893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.070893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.070893 (E_RNA)
where:
Base-Base interactions energy: -224.338
where: short stacking energy: -98.969
Base-Backbone interact. energy: -0.814
local terms energy: -135.919566
where:
bonds (distance) C4'-P energy: -24.491
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -28.724
flat angles P-C4'-P energy: -29.143
tors. eta vs tors. theta energy: -17.393
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: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -326.932328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.932328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.932328 (E_RNA)
where:
Base-Base interactions energy: -207.773
where: short stacking energy: -108.928
Base-Backbone interact. energy: 0.319
local terms energy: -119.478245
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -26.169
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -312.218950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.218950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.218950 (E_RNA)
where:
Base-Base interactions energy: -197.442
where: short stacking energy: -91.118
Base-Backbone interact. energy: 0.238
local terms energy: -115.014947
where:
bonds (distance) C4'-P energy: -24.815
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -12.178
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -208.924229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.924229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.924229 (E_RNA)
where:
Base-Base interactions energy: -99.201
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.304
local terms energy: -109.419322
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -549.151570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.151570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.151570 (E_RNA)
where:
Base-Base interactions energy: -370.398
where: short stacking energy: -187.098
Base-Backbone interact. energy: -0.291
local terms energy: -178.462840
where:
bonds (distance) C4'-P energy: -30.288
bonds (distance) P-C4' energy: -28.041
flat angles C4'-P-C4' energy: -39.892
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: -54.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -576.523541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.523541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.523541 (E_RNA)
where:
Base-Base interactions energy: -389.436
where: short stacking energy: -195.113
Base-Backbone interact. energy: -0.176
local terms energy: -186.911524
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -41.430
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -58.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -523.949400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.949400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.949400 (E_RNA)
where:
Base-Base interactions energy: -350.797
where: short stacking energy: -166.194
Base-Backbone interact. energy: -1.367
local terms energy: -171.785182
where:
bonds (distance) C4'-P energy: -35.517
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -37.298
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: -45.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -485.493811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.493811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.493811 (E_RNA)
where:
Base-Base interactions energy: -329.758
where: short stacking energy: -143.924
Base-Backbone interact. energy: 1.594
local terms energy: -157.330564
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -31.139
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -24.108
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: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -428.536002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.536002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.536002 (E_RNA)
where:
Base-Base interactions energy: -282.391
where: short stacking energy: -139.756
Base-Backbone interact. energy: -0.597
local terms energy: -145.548496
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -33.492
flat angles C4'-P-C4' energy: -34.793
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -37.140
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: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -379.608551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.608551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.608551 (E_RNA)
where:
Base-Base interactions energy: -253.077
where: short stacking energy: -119.305
Base-Backbone interact. energy: -0.434
local terms energy: -126.097732
where:
bonds (distance) C4'-P energy: -28.391
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -25.610
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -18.399
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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -354.910278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.910278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.910278 (E_RNA)
where:
Base-Base interactions energy: -215.619
where: short stacking energy: -103.493
Base-Backbone interact. energy: 1.608
local terms energy: -140.898721
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -315.938654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.938654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.938654 (E_RNA)
where:
Base-Base interactions energy: -199.116
where: short stacking energy: -95.340
Base-Backbone interact. energy: 0.043
local terms energy: -116.866056
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -33.795
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -19.884
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -309.047801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.047801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.047801 (E_RNA)
where:
Base-Base interactions energy: -191.580
where: short stacking energy: -86.710
Base-Backbone interact. energy: -0.391
local terms energy: -117.076897
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -25.140
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -19.556
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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -219.674136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.674136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.674136 (E_RNA)
where:
Base-Base interactions energy: -111.724
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.969
local terms energy: -106.980779
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -35.713
flat angles C4'-P-C4' energy: -27.795
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -590.300562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.300562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.300562 (E_RNA)
where:
Base-Base interactions energy: -396.966
where: short stacking energy: -196.158
Base-Backbone interact. energy: -0.737
local terms energy: -192.597538
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -40.201
flat angles P-C4'-P energy: -30.544
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: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -542.239677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.239677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.239677 (E_RNA)
where:
Base-Base interactions energy: -351.791
where: short stacking energy: -164.462
Base-Backbone interact. energy: -0.941
local terms energy: -189.507528
where:
bonds (distance) C4'-P energy: -33.503
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -50.351
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: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -530.083973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.083973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.083973 (E_RNA)
where:
Base-Base interactions energy: -353.218
where: short stacking energy: -159.187
Base-Backbone interact. energy: -0.209
local terms energy: -176.657700
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -36.335
flat angles P-C4'-P energy: -29.457
tors. eta vs tors. theta energy: -45.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -484.646780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.646780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.646780 (E_RNA)
where:
Base-Base interactions energy: -324.661
where: short stacking energy: -141.242
Base-Backbone interact. energy: -1.529
local terms energy: -158.456414
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -33.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -483.142211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.142211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.142211 (E_RNA)
where:
Base-Base interactions energy: -314.208
where: short stacking energy: -158.201
Base-Backbone interact. energy: 0.317
local terms energy: -169.250569
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -36.938
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -27.372
tors. eta vs tors. theta energy: -46.570
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: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -370.670545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.670545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.670545 (E_RNA)
where:
Base-Base interactions energy: -238.354
where: short stacking energy: -105.282
Base-Backbone interact. energy: -0.049
local terms energy: -132.268057
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -21.671
tors. eta vs tors. theta energy: -13.427
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: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -360.268817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.268817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.268817 (E_RNA)
where:
Base-Base interactions energy: -214.387
where: short stacking energy: -119.274
Base-Backbone interact. energy: -0.390
local terms energy: -145.491609
where:
bonds (distance) C4'-P energy: -33.475
bonds (distance) P-C4' energy: -34.827
flat angles C4'-P-C4' energy: -31.259
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -30.326
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: 142
Temperature: 1.250000
Total energy: -302.861749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.861749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.861749 (E_RNA)
where:
Base-Base interactions energy: -179.634
where: short stacking energy: -82.355
Base-Backbone interact. energy: -0.319
local terms energy: -122.908826
where:
bonds (distance) C4'-P energy: -35.136
bonds (distance) P-C4' energy: -29.425
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -6.777
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: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -328.724851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.724851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.724851 (E_RNA)
where:
Base-Base interactions energy: -210.019
where: short stacking energy: -94.739
Base-Backbone interact. energy: 1.209
local terms energy: -119.915334
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -34.287
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -235.553752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.553752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.553752 (E_RNA)
where:
Base-Base interactions energy: -113.029
where: short stacking energy: -65.022
Base-Backbone interact. energy: -0.577
local terms energy: -121.947762
where:
bonds (distance) C4'-P energy: -28.950
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -580.719897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.719897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.719897 (E_RNA)
where:
Base-Base interactions energy: -394.837
where: short stacking energy: -200.604
Base-Backbone interact. energy: -0.152
local terms energy: -185.730571
where:
bonds (distance) C4'-P energy: -27.999
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -38.373
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -55.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -528.313283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.313283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.313283 (E_RNA)
where:
Base-Base interactions energy: -347.515
where: short stacking energy: -175.684
Base-Backbone interact. energy: -0.017
local terms energy: -180.780904
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -38.346
flat angles C4'-P-C4' energy: -35.733
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -47.810
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: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -508.273776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.273776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.273776 (E_RNA)
where:
Base-Base interactions energy: -338.684
where: short stacking energy: -153.568
Base-Backbone interact. energy: 1.319
local terms energy: -170.908240
where:
bonds (distance) C4'-P energy: -32.309
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -24.750
tors. eta vs tors. theta energy: -38.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -505.576256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.576256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.576256 (E_RNA)
where:
Base-Base interactions energy: -337.873
where: short stacking energy: -150.788
Base-Backbone interact. energy: -2.083
local terms energy: -165.620219
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -26.393
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -46.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -477.209256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.209256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.209256 (E_RNA)
where:
Base-Base interactions energy: -308.064
where: short stacking energy: -153.181
Base-Backbone interact. energy: -0.313
local terms energy: -168.832917
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -38.794
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -44.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -373.635899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.635899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.635899 (E_RNA)
where:
Base-Base interactions energy: -214.650
where: short stacking energy: -123.527
Base-Backbone interact. energy: -0.330
local terms energy: -158.656336
where:
bonds (distance) C4'-P energy: -33.059
bonds (distance) P-C4' energy: -40.337
flat angles C4'-P-C4' energy: -35.447
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -28.508
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: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -335.958873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.958873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.958873 (E_RNA)
where:
Base-Base interactions energy: -204.674
where: short stacking energy: -104.806
Base-Backbone interact. energy: 1.012
local terms energy: -132.297166
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -21.343
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: 143
Temperature: 1.250000
Total energy: -353.350916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.350916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.350916 (E_RNA)
where:
Base-Base interactions energy: -223.301
where: short stacking energy: -98.263
Base-Backbone interact. energy: -0.221
local terms energy: -129.828536
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -30.348
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -283.184674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.184674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.184674 (E_RNA)
where:
Base-Base interactions energy: -175.943
where: short stacking energy: -92.081
Base-Backbone interact. energy: -0.693
local terms energy: -106.548595
where:
bonds (distance) C4'-P energy: -22.253
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -12.587
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: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -237.444070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.444070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.444070 (E_RNA)
where:
Base-Base interactions energy: -122.879
where: short stacking energy: -71.321
Base-Backbone interact. energy: -1.410
local terms energy: -113.154750
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -30.592
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -572.467313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.467313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.467313 (E_RNA)
where:
Base-Base interactions energy: -382.991
where: short stacking energy: -188.717
Base-Backbone interact. energy: -0.231
local terms energy: -189.245665
where:
bonds (distance) C4'-P energy: -33.427
bonds (distance) P-C4' energy: -38.920
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -28.407
tors. eta vs tors. theta energy: -54.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -525.788593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.788593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.788593 (E_RNA)
where:
Base-Base interactions energy: -349.650
where: short stacking energy: -183.332
Base-Backbone interact. energy: -0.869
local terms energy: -175.269327
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -37.832
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -49.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -489.775365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.775365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.775365 (E_RNA)
where:
Base-Base interactions energy: -317.811
where: short stacking energy: -152.542
Base-Backbone interact. energy: -0.405
local terms energy: -171.559423
where:
bonds (distance) C4'-P energy: -38.195
bonds (distance) P-C4' energy: -31.657
flat angles C4'-P-C4' energy: -34.302
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -42.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -504.240145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.240145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.240145 (E_RNA)
where:
Base-Base interactions energy: -345.234
where: short stacking energy: -163.935
Base-Backbone interact. energy: -0.799
local terms energy: -158.207566
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -42.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -397.100499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.100499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.100499 (E_RNA)
where:
Base-Base interactions energy: -248.985
where: short stacking energy: -119.223
Base-Backbone interact. energy: -0.846
local terms energy: -147.270300
where:
bonds (distance) C4'-P energy: -30.985
bonds (distance) P-C4' energy: -33.544
flat angles C4'-P-C4' energy: -34.682
flat angles P-C4'-P energy: -24.877
tors. eta vs tors. theta energy: -23.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -343.461665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.461665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.461665 (E_RNA)
where:
Base-Base interactions energy: -209.247
where: short stacking energy: -111.923
Base-Backbone interact. energy: -0.297
local terms energy: -133.917794
where:
bonds (distance) C4'-P energy: -29.483
bonds (distance) P-C4' energy: -25.587
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -24.233
tors. eta vs tors. theta energy: -23.964
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: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -385.109318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.109318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.109318 (E_RNA)
where:
Base-Base interactions energy: -239.658
where: short stacking energy: -116.946
Base-Backbone interact. energy: -0.300
local terms energy: -145.151777
where:
bonds (distance) C4'-P energy: -27.168
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -23.700
tors. eta vs tors. theta energy: -27.018
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: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -315.483847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.483847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.483847 (E_RNA)
where:
Base-Base interactions energy: -200.599
where: short stacking energy: -78.103
Base-Backbone interact. energy: -0.682
local terms energy: -114.202480
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -37.981
flat angles C4'-P-C4' energy: -24.239
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -11.487
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: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -306.702645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.702645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.702645 (E_RNA)
where:
Base-Base interactions energy: -191.155
where: short stacking energy: -93.010
Base-Backbone interact. energy: -0.444
local terms energy: -115.103823
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -32.848
flat angles C4'-P-C4' energy: -26.755
flat angles P-C4'-P energy: -16.889
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -225.282822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.282822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.282822 (E_RNA)
where:
Base-Base interactions energy: -109.022
where: short stacking energy: -57.941
Base-Backbone interact. energy: -0.261
local terms energy: -115.999924
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -34.857
flat angles C4'-P-C4' energy: -26.958
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -2.223
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: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -572.047465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.047465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.047465 (E_RNA)
where:
Base-Base interactions energy: -372.886
where: short stacking energy: -189.252
Base-Backbone interact. energy: -0.698
local terms energy: -198.463728
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -37.756
flat angles C4'-P-C4' energy: -45.686
flat angles P-C4'-P energy: -27.310
tors. eta vs tors. theta energy: -53.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -536.815594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.815594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.815594 (E_RNA)
where:
Base-Base interactions energy: -359.596
where: short stacking energy: -183.562
Base-Backbone interact. energy: -0.193
local terms energy: -177.027349
where:
bonds (distance) C4'-P energy: -31.854
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -38.363
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -53.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -525.691157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.691157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.691157 (E_RNA)
where:
Base-Base interactions energy: -358.206
where: short stacking energy: -172.247
Base-Backbone interact. energy: -0.642
local terms energy: -166.843898
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -37.946
flat angles P-C4'-P energy: -27.508
tors. eta vs tors. theta energy: -41.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -484.312271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.312271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.312271 (E_RNA)
where:
Base-Base interactions energy: -317.206
where: short stacking energy: -144.235
Base-Backbone interact. energy: 1.181
local terms energy: -168.287672
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -34.950
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -40.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -432.878384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.878384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.878384 (E_RNA)
where:
Base-Base interactions energy: -278.263
where: short stacking energy: -143.945
Base-Backbone interact. energy: -0.231
local terms energy: -154.384035
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -30.803
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -35.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -384.903632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.903632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.903632 (E_RNA)
where:
Base-Base interactions energy: -242.241
where: short stacking energy: -120.879
Base-Backbone interact. energy: -0.553
local terms energy: -142.110371
where:
bonds (distance) C4'-P energy: -22.261
bonds (distance) P-C4' energy: -34.535
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -36.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -325.667812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.667812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.667812 (E_RNA)
where:
Base-Base interactions energy: -202.851
where: short stacking energy: -101.209
Base-Backbone interact. energy: -0.122
local terms energy: -122.694645
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -339.682125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.682125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.682125 (E_RNA)
where:
Base-Base interactions energy: -217.821
where: short stacking energy: -104.465
Base-Backbone interact. energy: -0.419
local terms energy: -121.442930
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -26.355
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -290.851912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.851912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.851912 (E_RNA)
where:
Base-Base interactions energy: -177.529
where: short stacking energy: -84.305
Base-Backbone interact. energy: -0.490
local terms energy: -112.833159
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -29.464
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -226.482210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.482210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.482210 (E_RNA)
where:
Base-Base interactions energy: -114.290
where: short stacking energy: -69.822
Base-Backbone interact. energy: -1.612
local terms energy: -110.580520
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -4.536
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: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -570.025671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.025671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.025671 (E_RNA)
where:
Base-Base interactions energy: -381.727
where: short stacking energy: -188.898
Base-Backbone interact. energy: -0.702
local terms energy: -187.596254
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -56.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -552.331621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.331621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.331621 (E_RNA)
where:
Base-Base interactions energy: -360.620
where: short stacking energy: -184.383
Base-Backbone interact. energy: 0.279
local terms energy: -191.990965
where:
bonds (distance) C4'-P energy: -31.650
bonds (distance) P-C4' energy: -36.558
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -31.225
tors. eta vs tors. theta energy: -54.984
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: 146
Temperature: 1.000000
Total energy: -506.660053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.660053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.660053 (E_RNA)
where:
Base-Base interactions energy: -358.427
where: short stacking energy: -156.476
Base-Backbone interact. energy: -0.475
local terms energy: -147.757892
where:
bonds (distance) C4'-P energy: -30.785
bonds (distance) P-C4' energy: -32.147
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -29.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -464.844134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.844134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.844134 (E_RNA)
where:
Base-Base interactions energy: -318.024
where: short stacking energy: -133.757
Base-Backbone interact. energy: -0.968
local terms energy: -145.851645
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -37.723
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -433.672024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.672024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.672024 (E_RNA)
where:
Base-Base interactions energy: -270.549
where: short stacking energy: -139.138
Base-Backbone interact. energy: -0.417
local terms energy: -162.705719
where:
bonds (distance) C4'-P energy: -33.815
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -21.092
tors. eta vs tors. theta energy: -38.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -400.327569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.327569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.327569 (E_RNA)
where:
Base-Base interactions energy: -249.370
where: short stacking energy: -122.803
Base-Backbone interact. energy: -0.568
local terms energy: -150.389659
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -31.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -348.850494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.850494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.850494 (E_RNA)
where:
Base-Base interactions energy: -206.707
where: short stacking energy: -105.643
Base-Backbone interact. energy: -0.152
local terms energy: -141.991012
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -35.043
flat angles C4'-P-C4' energy: -28.418
flat angles P-C4'-P energy: -17.820
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: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -341.505272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.505272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.505272 (E_RNA)
where:
Base-Base interactions energy: -218.814
where: short stacking energy: -109.036
Base-Backbone interact. energy: -0.465
local terms energy: -122.226983
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -36.556
flat angles C4'-P-C4' energy: -28.886
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -318.339665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.339665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.339665 (E_RNA)
where:
Base-Base interactions energy: -192.225
where: short stacking energy: -102.213
Base-Backbone interact. energy: 1.481
local terms energy: -127.596391
where:
bonds (distance) C4'-P energy: -31.994
bonds (distance) P-C4' energy: -38.858
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -223.501018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.501018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.501018 (E_RNA)
where:
Base-Base interactions energy: -119.193
where: short stacking energy: -66.873
Base-Backbone interact. energy: -1.082
local terms energy: -103.226132
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -28.335
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -13.518
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: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -567.286046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.286046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.286046 (E_RNA)
where:
Base-Base interactions energy: -378.807
where: short stacking energy: -174.684
Base-Backbone interact. energy: -0.276
local terms energy: -188.203891
where:
bonds (distance) C4'-P energy: -27.294
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -42.102
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -51.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -528.438138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.438138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.438138 (E_RNA)
where:
Base-Base interactions energy: -341.335
where: short stacking energy: -168.975
Base-Backbone interact. energy: -0.315
local terms energy: -186.788597
where:
bonds (distance) C4'-P energy: -32.798
bonds (distance) P-C4' energy: -35.196
flat angles C4'-P-C4' energy: -38.206
flat angles P-C4'-P energy: -31.274
tors. eta vs tors. theta energy: -49.315
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: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -489.913150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.913150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.913150 (E_RNA)
where:
Base-Base interactions energy: -326.696
where: short stacking energy: -145.099
Base-Backbone interact. energy: -1.116
local terms energy: -162.101103
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -40.249
flat angles C4'-P-C4' energy: -39.656
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -31.413
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: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -477.997147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.997147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.997147 (E_RNA)
where:
Base-Base interactions energy: -336.352
where: short stacking energy: -132.857
Base-Backbone interact. energy: -1.053
local terms energy: -140.591993
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -32.084
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -33.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -445.818340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.818340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.818340 (E_RNA)
where:
Base-Base interactions energy: -287.585
where: short stacking energy: -159.405
Base-Backbone interact. energy: -0.204
local terms energy: -158.028797
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -35.469
flat angles C4'-P-C4' energy: -33.788
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -40.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -379.903336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.903336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.903336 (E_RNA)
where:
Base-Base interactions energy: -239.292
where: short stacking energy: -122.720
Base-Backbone interact. energy: 0.844
local terms energy: -141.455928
where:
bonds (distance) C4'-P energy: -25.638
bonds (distance) P-C4' energy: -31.674
flat angles C4'-P-C4' energy: -38.535
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -329.276174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.276174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.276174 (E_RNA)
where:
Base-Base interactions energy: -202.635
where: short stacking energy: -101.874
Base-Backbone interact. energy: -0.498
local terms energy: -126.143290
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -30.997
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -23.798
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: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -338.056414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.056414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.056414 (E_RNA)
where:
Base-Base interactions energy: -206.035
where: short stacking energy: -106.872
Base-Backbone interact. energy: -0.243
local terms energy: -131.777831
where:
bonds (distance) C4'-P energy: -32.251
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -34.824
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -298.206510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.206510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.206510 (E_RNA)
where:
Base-Base interactions energy: -166.267
where: short stacking energy: -82.201
Base-Backbone interact. energy: -1.070
local terms energy: -130.868857
where:
bonds (distance) C4'-P energy: -34.153
bonds (distance) P-C4' energy: -33.917
flat angles C4'-P-C4' energy: -24.460
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -222.293609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.293609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.293609 (E_RNA)
where:
Base-Base interactions energy: -125.979
where: short stacking energy: -65.132
Base-Backbone interact. energy: -1.461
local terms energy: -94.853247
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: 1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -581.557929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.557929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.557929 (E_RNA)
where:
Base-Base interactions energy: -386.263
where: short stacking energy: -188.932
Base-Backbone interact. energy: -0.036
local terms energy: -195.258304
where:
bonds (distance) C4'-P energy: -39.543
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -35.767
flat angles P-C4'-P energy: -31.007
tors. eta vs tors. theta energy: -51.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -543.016548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.016548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.016548 (E_RNA)
where:
Base-Base interactions energy: -356.357
where: short stacking energy: -178.209
Base-Backbone interact. energy: -0.339
local terms energy: -186.320563
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -38.504
flat angles P-C4'-P energy: -25.362
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: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -515.302240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.302240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.302240 (E_RNA)
where:
Base-Base interactions energy: -338.461
where: short stacking energy: -152.695
Base-Backbone interact. energy: -0.184
local terms energy: -176.657928
where:
bonds (distance) C4'-P energy: -39.013
bonds (distance) P-C4' energy: -40.524
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -20.880
tors. eta vs tors. theta energy: -43.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -478.983021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.983021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.983021 (E_RNA)
where:
Base-Base interactions energy: -319.416
where: short stacking energy: -140.504
Base-Backbone interact. energy: -0.347
local terms energy: -159.220112
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -37.884
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -33.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -390.397582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.397582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.397582 (E_RNA)
where:
Base-Base interactions energy: -234.236
where: short stacking energy: -111.559
Base-Backbone interact. energy: -0.213
local terms energy: -155.948004
where:
bonds (distance) C4'-P energy: -38.986
bonds (distance) P-C4' energy: -35.554
flat angles C4'-P-C4' energy: -37.984
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -402.846183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.846183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.846183 (E_RNA)
where:
Base-Base interactions energy: -260.073
where: short stacking energy: -127.279
Base-Backbone interact. energy: 0.194
local terms energy: -142.966695
where:
bonds (distance) C4'-P energy: -26.480
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -21.228
tors. eta vs tors. theta energy: -28.152
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: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -379.749879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.749879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.749879 (E_RNA)
where:
Base-Base interactions energy: -241.562
where: short stacking energy: -123.842
Base-Backbone interact. energy: -0.470
local terms energy: -137.717609
where:
bonds (distance) C4'-P energy: -30.106
bonds (distance) P-C4' energy: -35.714
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -311.097030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.097030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.097030 (E_RNA)
where:
Base-Base interactions energy: -195.003
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.395
local terms energy: -115.698623
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -27.386
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -323.052200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.052200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.052200 (E_RNA)
where:
Base-Base interactions energy: -201.120
where: short stacking energy: -91.599
Base-Backbone interact. energy: 2.147
local terms energy: -124.079552
where:
bonds (distance) C4'-P energy: -35.426
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -216.111079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.111079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111079 (E_RNA)
where:
Base-Base interactions energy: -104.891
where: short stacking energy: -58.636
Base-Backbone interact. energy: -1.006
local terms energy: -110.213590
where:
bonds (distance) C4'-P energy: -31.416
bonds (distance) P-C4' energy: -30.200
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -584.280131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.280131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.280131 (E_RNA)
where:
Base-Base interactions energy: -398.340
where: short stacking energy: -185.023
Base-Backbone interact. energy: -0.730
local terms energy: -185.210864
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -31.377
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: -54.788
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: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -530.553635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.553635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.553635 (E_RNA)
where:
Base-Base interactions energy: -359.558
where: short stacking energy: -159.796
Base-Backbone interact. energy: -1.136
local terms energy: -169.859178
where:
bonds (distance) C4'-P energy: -32.644
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -43.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -525.030100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.030100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.030100 (E_RNA)
where:
Base-Base interactions energy: -341.599
where: short stacking energy: -166.833
Base-Backbone interact. energy: -0.912
local terms energy: -182.519324
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -48.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -496.720503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.720503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.720503 (E_RNA)
where:
Base-Base interactions energy: -334.771
where: short stacking energy: -147.351
Base-Backbone interact. energy: -0.989
local terms energy: -160.960360
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -42.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -371.020536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.020536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.020536 (E_RNA)
where:
Base-Base interactions energy: -213.324
where: short stacking energy: -115.795
Base-Backbone interact. energy: -0.276
local terms energy: -157.420036
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -33.937
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -414.898248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.898248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.898248 (E_RNA)
where:
Base-Base interactions energy: -268.994
where: short stacking energy: -136.154
Base-Backbone interact. energy: 3.848
local terms energy: -149.752822
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -32.821
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -37.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -374.713912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.713912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.713912 (E_RNA)
where:
Base-Base interactions energy: -240.708
where: short stacking energy: -110.975
Base-Backbone interact. energy: -0.194
local terms energy: -133.812515
where:
bonds (distance) C4'-P energy: -22.130
bonds (distance) P-C4' energy: -34.438
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -332.774055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.774055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.774055 (E_RNA)
where:
Base-Base interactions energy: -197.798
where: short stacking energy: -98.979
Base-Backbone interact. energy: -1.232
local terms energy: -133.744118
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -339.887185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.887185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.887185 (E_RNA)
where:
Base-Base interactions energy: -203.666
where: short stacking energy: -111.748
Base-Backbone interact. energy: 0.242
local terms energy: -136.463870
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -29.009
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -28.528
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: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -223.395787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.395787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.395787 (E_RNA)
where:
Base-Base interactions energy: -110.880
where: short stacking energy: -68.437
Base-Backbone interact. energy: -1.440
local terms energy: -111.075985
where:
bonds (distance) C4'-P energy: -28.669
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -19.130
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: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -578.574539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.574539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.574539 (E_RNA)
where:
Base-Base interactions energy: -384.835
where: short stacking energy: -192.016
Base-Backbone interact. energy: -0.662
local terms energy: -193.077892
where:
bonds (distance) C4'-P energy: -35.648
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -39.127
flat angles P-C4'-P energy: -26.726
tors. eta vs tors. theta energy: -56.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -533.099414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.099414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.099414 (E_RNA)
where:
Base-Base interactions energy: -362.870
where: short stacking energy: -167.187
Base-Backbone interact. energy: 0.458
local terms energy: -170.687267
where:
bonds (distance) C4'-P energy: -35.514
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -30.947
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -43.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -509.259694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.259694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.259694 (E_RNA)
where:
Base-Base interactions energy: -342.173
where: short stacking energy: -154.185
Base-Backbone interact. energy: -0.978
local terms energy: -166.109378
where:
bonds (distance) C4'-P energy: -32.881
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -33.636
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -40.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -504.573898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.573898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.573898 (E_RNA)
where:
Base-Base interactions energy: -329.994
where: short stacking energy: -156.065
Base-Backbone interact. energy: 1.089
local terms energy: -175.669572
where:
bonds (distance) C4'-P energy: -31.467
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -43.695
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: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -434.499165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.499165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.499165 (E_RNA)
where:
Base-Base interactions energy: -277.253
where: short stacking energy: -135.705
Base-Backbone interact. energy: 0.217
local terms energy: -157.462980
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -35.427
flat angles P-C4'-P energy: -26.262
tors. eta vs tors. theta energy: -33.291
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: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -370.946153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.946153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.946153 (E_RNA)
where:
Base-Base interactions energy: -230.644
where: short stacking energy: -118.889
Base-Backbone interact. energy: 0.818
local terms energy: -141.119830
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -31.874
flat angles C4'-P-C4' energy: -25.562
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -29.272
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: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -312.251792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.251792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.251792 (E_RNA)
where:
Base-Base interactions energy: -179.349
where: short stacking energy: -84.947
Base-Backbone interact. energy: 0.461
local terms energy: -133.363946
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -34.016
flat angles C4'-P-C4' energy: -32.436
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -10.252
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: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -349.828293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.828293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.828293 (E_RNA)
where:
Base-Base interactions energy: -199.472
where: short stacking energy: -98.731
Base-Backbone interact. energy: -0.302
local terms energy: -150.054301
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -38.963
flat angles C4'-P-C4' energy: -36.003
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -303.993238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.993238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.993238 (E_RNA)
where:
Base-Base interactions energy: -182.429
where: short stacking energy: -85.574
Base-Backbone interact. energy: -0.607
local terms energy: -120.957424
where:
bonds (distance) C4'-P energy: -23.544
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -217.920729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.920729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.920729 (E_RNA)
where:
Base-Base interactions energy: -115.935
where: short stacking energy: -66.486
Base-Backbone interact. energy: -0.282
local terms energy: -101.704502
where:
bonds (distance) C4'-P energy: -24.831
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -576.533088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.533088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.533088 (E_RNA)
where:
Base-Base interactions energy: -383.809
where: short stacking energy: -193.179
Base-Backbone interact. energy: -0.050
local terms energy: -192.674082
where:
bonds (distance) C4'-P energy: -34.368
bonds (distance) P-C4' energy: -32.663
flat angles C4'-P-C4' energy: -42.832
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -55.817
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: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -525.708105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.708105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.708105 (E_RNA)
where:
Base-Base interactions energy: -357.202
where: short stacking energy: -161.397
Base-Backbone interact. energy: 0.056
local terms energy: -168.562835
where:
bonds (distance) C4'-P energy: -34.380
bonds (distance) P-C4' energy: -40.860
flat angles C4'-P-C4' energy: -33.806
flat angles P-C4'-P energy: -21.329
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: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -519.059414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.059414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.059414 (E_RNA)
where:
Base-Base interactions energy: -352.831
where: short stacking energy: -176.562
Base-Backbone interact. energy: -0.667
local terms energy: -165.561383
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -34.964
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -43.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -511.465600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.465600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.465600 (E_RNA)
where:
Base-Base interactions energy: -336.192
where: short stacking energy: -166.330
Base-Backbone interact. energy: -0.019
local terms energy: -175.254178
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -30.346
flat angles C4'-P-C4' energy: -39.979
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -47.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -419.101779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.101779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.101779 (E_RNA)
where:
Base-Base interactions energy: -270.266
where: short stacking energy: -129.603
Base-Backbone interact. energy: -0.299
local terms energy: -148.536773
where:
bonds (distance) C4'-P energy: -37.962
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -35.171
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: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -372.331124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.331124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.331124 (E_RNA)
where:
Base-Base interactions energy: -234.744
where: short stacking energy: -125.385
Base-Backbone interact. energy: -1.524
local terms energy: -136.063472
where:
bonds (distance) C4'-P energy: -28.206
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -31.978
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: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -327.214802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.214802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.214802 (E_RNA)
where:
Base-Base interactions energy: -200.542
where: short stacking energy: -88.608
Base-Backbone interact. energy: 0.665
local terms energy: -127.337828
where:
bonds (distance) C4'-P energy: -31.663
bonds (distance) P-C4' energy: -34.905
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -8.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -362.050513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.050513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.050513 (E_RNA)
where:
Base-Base interactions energy: -238.222
where: short stacking energy: -126.202
Base-Backbone interact. energy: 0.327
local terms energy: -124.155635
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -32.796
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -29.002
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: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -314.701404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.701404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.701404 (E_RNA)
where:
Base-Base interactions energy: -192.082
where: short stacking energy: -95.931
Base-Backbone interact. energy: 1.155
local terms energy: -123.774508
where:
bonds (distance) C4'-P energy: -28.061
bonds (distance) P-C4' energy: -36.288
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -15.178
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: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -226.336184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.336184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.336184 (E_RNA)
where:
Base-Base interactions energy: -102.478
where: short stacking energy: -57.226
Base-Backbone interact. energy: -0.203
local terms energy: -123.655252
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -34.404
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -7.387
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: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -571.395560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.395560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.395560 (E_RNA)
where:
Base-Base interactions energy: -383.224
where: short stacking energy: -187.642
Base-Backbone interact. energy: -0.137
local terms energy: -188.035056
where:
bonds (distance) C4'-P energy: -27.789
bonds (distance) P-C4' energy: -38.950
flat angles C4'-P-C4' energy: -39.345
flat angles P-C4'-P energy: -26.577
tors. eta vs tors. theta energy: -55.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -528.076925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.076925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.076925 (E_RNA)
where:
Base-Base interactions energy: -341.494
where: short stacking energy: -151.421
Base-Backbone interact. energy: -0.830
local terms energy: -185.753083
where:
bonds (distance) C4'-P energy: -35.975
bonds (distance) P-C4' energy: -41.562
flat angles C4'-P-C4' energy: -38.036
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -40.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -537.712761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.712761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.712761 (E_RNA)
where:
Base-Base interactions energy: -362.836
where: short stacking energy: -165.077
Base-Backbone interact. energy: 3.306
local terms energy: -178.182345
where:
bonds (distance) C4'-P energy: -28.984
bonds (distance) P-C4' energy: -40.498
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -43.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -519.500932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.500932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.500932 (E_RNA)
where:
Base-Base interactions energy: -350.174
where: short stacking energy: -174.039
Base-Backbone interact. energy: 0.493
local terms energy: -169.819473
where:
bonds (distance) C4'-P energy: -30.870
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -45.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -380.801456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.801456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.801456 (E_RNA)
where:
Base-Base interactions energy: -234.793
where: short stacking energy: -127.167
Base-Backbone interact. energy: -0.078
local terms energy: -145.930826
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -26.138
flat angles C4'-P-C4' energy: -41.009
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -30.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -417.972980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.972980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.972980 (E_RNA)
where:
Base-Base interactions energy: -263.650
where: short stacking energy: -128.817
Base-Backbone interact. energy: -0.495
local terms energy: -153.827666
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -35.268
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -33.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -364.325585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.325585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.325585 (E_RNA)
where:
Base-Base interactions energy: -218.982
where: short stacking energy: -108.293
Base-Backbone interact. energy: -1.014
local terms energy: -144.330136
where:
bonds (distance) C4'-P energy: -31.996
bonds (distance) P-C4' energy: -33.575
flat angles C4'-P-C4' energy: -33.966
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -335.410609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.410609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.410609 (E_RNA)
where:
Base-Base interactions energy: -214.314
where: short stacking energy: -117.639
Base-Backbone interact. energy: -1.130
local terms energy: -119.966269
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -22.189
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: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -315.476837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.476837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.476837 (E_RNA)
where:
Base-Base interactions energy: -183.590
where: short stacking energy: -77.537
Base-Backbone interact. energy: 0.230
local terms energy: -132.117038
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -32.840
flat angles P-C4'-P energy: -26.363
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -244.170927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.170927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.170927 (E_RNA)
where:
Base-Base interactions energy: -116.683
where: short stacking energy: -71.628
Base-Backbone interact. energy: 0.086
local terms energy: -127.573674
where:
bonds (distance) C4'-P energy: -30.818
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -33.090
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -580.770696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.770696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.770696 (E_RNA)
where:
Base-Base interactions energy: -388.949
where: short stacking energy: -187.128
Base-Backbone interact. energy: -0.141
local terms energy: -191.681434
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -36.960
flat angles C4'-P-C4' energy: -41.147
flat angles P-C4'-P energy: -27.039
tors. eta vs tors. theta energy: -53.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -534.640978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.640978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.640978 (E_RNA)
where:
Base-Base interactions energy: -366.174
where: short stacking energy: -167.557
Base-Backbone interact. energy: -0.294
local terms energy: -168.172206
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -30.780
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -38.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -503.132678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.132678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.132678 (E_RNA)
where:
Base-Base interactions energy: -338.632
where: short stacking energy: -146.495
Base-Backbone interact. energy: -0.679
local terms energy: -163.821587
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -33.110
flat angles C4'-P-C4' energy: -36.142
flat angles P-C4'-P energy: -23.915
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: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -466.721435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.721435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.721435 (E_RNA)
where:
Base-Base interactions energy: -300.139
where: short stacking energy: -144.182
Base-Backbone interact. energy: -0.256
local terms energy: -166.326234
where:
bonds (distance) C4'-P energy: -35.453
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -36.461
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -40.221
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: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -395.243902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.243902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.243902 (E_RNA)
where:
Base-Base interactions energy: -245.886
where: short stacking energy: -147.558
Base-Backbone interact. energy: -0.690
local terms energy: -148.668153
where:
bonds (distance) C4'-P energy: -30.013
bonds (distance) P-C4' energy: -32.981
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -38.040
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: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -423.373522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.373522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.373522 (E_RNA)
where:
Base-Base interactions energy: -267.410
where: short stacking energy: -133.378
Base-Backbone interact. energy: -0.452
local terms energy: -155.511883
where:
bonds (distance) C4'-P energy: -34.036
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -24.491
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: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -364.549560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.549560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.549560 (E_RNA)
where:
Base-Base interactions energy: -228.030
where: short stacking energy: -118.285
Base-Backbone interact. energy: -1.241
local terms energy: -135.278028
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -31.841
flat angles C4'-P-C4' energy: -36.595
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -21.846
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: 153
Temperature: 1.250000
Total energy: -333.227840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.227840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.227840 (E_RNA)
where:
Base-Base interactions energy: -206.471
where: short stacking energy: -98.520
Base-Backbone interact. energy: -0.669
local terms energy: -126.087246
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -305.888907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.888907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.888907 (E_RNA)
where:
Base-Base interactions energy: -186.870
where: short stacking energy: -84.649
Base-Backbone interact. energy: -0.566
local terms energy: -118.452548
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -244.316000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.316000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.316000 (E_RNA)
where:
Base-Base interactions energy: -148.202
where: short stacking energy: -74.186
Base-Backbone interact. energy: -0.104
local terms energy: -96.009584
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -582.237114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.237114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.237114 (E_RNA)
where:
Base-Base interactions energy: -392.261
where: short stacking energy: -191.796
Base-Backbone interact. energy: -0.065
local terms energy: -189.911462
where:
bonds (distance) C4'-P energy: -37.954
bonds (distance) P-C4' energy: -36.668
flat angles C4'-P-C4' energy: -38.269
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -53.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -535.395057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.395057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.395057 (E_RNA)
where:
Base-Base interactions energy: -362.410
where: short stacking energy: -159.336
Base-Backbone interact. energy: -0.998
local terms energy: -171.987180
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -41.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -516.881294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.881294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.881294 (E_RNA)
where:
Base-Base interactions energy: -337.580
where: short stacking energy: -184.230
Base-Backbone interact. energy: -1.090
local terms energy: -178.211409
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -53.174
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: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -494.039464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.039464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.039464 (E_RNA)
where:
Base-Base interactions energy: -333.025
where: short stacking energy: -146.726
Base-Backbone interact. energy: -0.449
local terms energy: -160.565603
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -33.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -421.020995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.020995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.020995 (E_RNA)
where:
Base-Base interactions energy: -258.771
where: short stacking energy: -132.903
Base-Backbone interact. energy: -0.241
local terms energy: -162.008553
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -38.961
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: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -383.410521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.410521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.410521 (E_RNA)
where:
Base-Base interactions energy: -240.665
where: short stacking energy: -138.411
Base-Backbone interact. energy: -0.205
local terms energy: -142.540456
where:
bonds (distance) C4'-P energy: -29.316
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -28.127
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: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -378.422702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.422702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.422702 (E_RNA)
where:
Base-Base interactions energy: -245.364
where: short stacking energy: -116.234
Base-Backbone interact. energy: -0.370
local terms energy: -132.688804
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -25.116
flat angles C4'-P-C4' energy: -36.187
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -22.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -315.562769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.562769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.562769 (E_RNA)
where:
Base-Base interactions energy: -203.424
where: short stacking energy: -106.819
Base-Backbone interact. energy: 0.809
local terms energy: -112.947137
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -295.526169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.526169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.526169 (E_RNA)
where:
Base-Base interactions energy: -183.686
where: short stacking energy: -82.720
Base-Backbone interact. energy: -0.381
local terms energy: -111.458463
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -28.342
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -13.623
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: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -222.174618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.174618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.174618 (E_RNA)
where:
Base-Base interactions energy: -115.428
where: short stacking energy: -70.939
Base-Backbone interact. energy: -0.820
local terms energy: -105.927054
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -584.140416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.140416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.140416 (E_RNA)
where:
Base-Base interactions energy: -385.829
where: short stacking energy: -185.696
Base-Backbone interact. energy: 0.626
local terms energy: -198.937495
where:
bonds (distance) C4'-P energy: -35.980
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -42.479
flat angles P-C4'-P energy: -29.039
tors. eta vs tors. theta energy: -51.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -545.784306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.784306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.784306 (E_RNA)
where:
Base-Base interactions energy: -361.897
where: short stacking energy: -170.822
Base-Backbone interact. energy: 0.342
local terms energy: -184.229124
where:
bonds (distance) C4'-P energy: -35.047
bonds (distance) P-C4' energy: -39.395
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -25.882
tors. eta vs tors. theta energy: -46.502
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: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -496.382676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.382676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.382676 (E_RNA)
where:
Base-Base interactions energy: -339.022
where: short stacking energy: -164.576
Base-Backbone interact. energy: 0.133
local terms energy: -157.493417
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -29.782
tors. eta vs tors. theta energy: -41.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -477.341265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.341265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.341265 (E_RNA)
where:
Base-Base interactions energy: -308.339
where: short stacking energy: -136.060
Base-Backbone interact. energy: -0.166
local terms energy: -168.836591
where:
bonds (distance) C4'-P energy: -37.833
bonds (distance) P-C4' energy: -40.082
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -25.904
tors. eta vs tors. theta energy: -31.220
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: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -428.050542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.050542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.050542 (E_RNA)
where:
Base-Base interactions energy: -265.456
where: short stacking energy: -144.890
Base-Backbone interact. energy: -0.418
local terms energy: -162.176424
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -28.346
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -44.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -377.282193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.282193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.282193 (E_RNA)
where:
Base-Base interactions energy: -236.515
where: short stacking energy: -102.922
Base-Backbone interact. energy: -0.259
local terms energy: -140.508703
where:
bonds (distance) C4'-P energy: -24.561
bonds (distance) P-C4' energy: -32.382
flat angles C4'-P-C4' energy: -35.932
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -23.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -336.484289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.484289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.484289 (E_RNA)
where:
Base-Base interactions energy: -200.940
where: short stacking energy: -103.688
Base-Backbone interact. energy: -0.454
local terms energy: -135.089960
where:
bonds (distance) C4'-P energy: -34.069
bonds (distance) P-C4' energy: -37.486
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -301.417072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.417072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.417072 (E_RNA)
where:
Base-Base interactions energy: -182.510
where: short stacking energy: -97.834
Base-Backbone interact. energy: 0.637
local terms energy: -119.544850
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -305.353591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.353591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.353591 (E_RNA)
where:
Base-Base interactions energy: -193.273
where: short stacking energy: -95.136
Base-Backbone interact. energy: -0.293
local terms energy: -111.787829
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -33.399
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -16.161
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: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -213.136189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.136189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.136189 (E_RNA)
where:
Base-Base interactions energy: -105.493
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.285
local terms energy: -107.358303
where:
bonds (distance) C4'-P energy: -37.440
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -21.465
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -574.735418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.735418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.735418 (E_RNA)
where:
Base-Base interactions energy: -380.791
where: short stacking energy: -190.307
Base-Backbone interact. energy: -0.218
local terms energy: -193.726613
where:
bonds (distance) C4'-P energy: -37.501
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -38.517
flat angles P-C4'-P energy: -30.683
tors. eta vs tors. theta energy: -53.966
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: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -548.939501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.939501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.939501 (E_RNA)
where:
Base-Base interactions energy: -364.743
where: short stacking energy: -170.870
Base-Backbone interact. energy: 0.850
local terms energy: -185.046219
where:
bonds (distance) C4'-P energy: -35.086
bonds (distance) P-C4' energy: -38.201
flat angles C4'-P-C4' energy: -40.969
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -49.177
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: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -507.831584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.831584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.831584 (E_RNA)
where:
Base-Base interactions energy: -344.071
where: short stacking energy: -156.774
Base-Backbone interact. energy: 0.571
local terms energy: -164.331912
where:
bonds (distance) C4'-P energy: -37.321
bonds (distance) P-C4' energy: -32.674
flat angles C4'-P-C4' energy: -33.087
flat angles P-C4'-P energy: -22.298
tors. eta vs tors. theta energy: -38.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -483.148782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.148782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.148782 (E_RNA)
where:
Base-Base interactions energy: -328.841
where: short stacking energy: -155.397
Base-Backbone interact. energy: -0.718
local terms energy: -153.589536
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -35.297
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -46.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -420.681328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.681328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.681328 (E_RNA)
where:
Base-Base interactions energy: -274.183
where: short stacking energy: -120.323
Base-Backbone interact. energy: -1.227
local terms energy: -145.271164
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -29.075
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -29.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -374.676462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.676462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.676462 (E_RNA)
where:
Base-Base interactions energy: -237.292
where: short stacking energy: -121.017
Base-Backbone interact. energy: -1.517
local terms energy: -135.867831
where:
bonds (distance) C4'-P energy: -30.573
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -343.904175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.904175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.904175 (E_RNA)
where:
Base-Base interactions energy: -212.111
where: short stacking energy: -113.379
Base-Backbone interact. energy: 0.389
local terms energy: -132.182582
where:
bonds (distance) C4'-P energy: -32.284
bonds (distance) P-C4' energy: -29.618
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -32.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -338.019544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.019544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.019544 (E_RNA)
where:
Base-Base interactions energy: -207.866
where: short stacking energy: -101.450
Base-Backbone interact. energy: -2.374
local terms energy: -127.779307
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -309.423370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.423370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.423370 (E_RNA)
where:
Base-Base interactions energy: -184.139
where: short stacking energy: -102.850
Base-Backbone interact. energy: 0.271
local terms energy: -125.555821
where:
bonds (distance) C4'-P energy: -27.284
bonds (distance) P-C4' energy: -27.770
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -19.974
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: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -233.871905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.871905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.871905 (E_RNA)
where:
Base-Base interactions energy: -123.227
where: short stacking energy: -85.029
Base-Backbone interact. energy: 0.992
local terms energy: -111.637098
where:
bonds (distance) C4'-P energy: -26.634
bonds (distance) P-C4' energy: -29.364
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -13.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -587.673341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.673341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.673341 (E_RNA)
where:
Base-Base interactions energy: -392.764
where: short stacking energy: -191.039
Base-Backbone interact. energy: -0.231
local terms energy: -194.678476
where:
bonds (distance) C4'-P energy: -35.363
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -38.946
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -56.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -529.706946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.706946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.706946 (E_RNA)
where:
Base-Base interactions energy: -357.010
where: short stacking energy: -171.074
Base-Backbone interact. energy: 0.659
local terms energy: -173.355767
where:
bonds (distance) C4'-P energy: -25.962
bonds (distance) P-C4' energy: -39.083
flat angles C4'-P-C4' energy: -35.917
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -44.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -512.589479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.589479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.589479 (E_RNA)
where:
Base-Base interactions energy: -339.028
where: short stacking energy: -154.490
Base-Backbone interact. energy: -1.211
local terms energy: -172.350271
where:
bonds (distance) C4'-P energy: -37.206
bonds (distance) P-C4' energy: -37.995
flat angles C4'-P-C4' energy: -37.010
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -41.656
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: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -500.321492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.321492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.321492 (E_RNA)
where:
Base-Base interactions energy: -335.792
where: short stacking energy: -158.330
Base-Backbone interact. energy: -0.529
local terms energy: -164.000750
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -35.243
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -39.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -433.058390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.058390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.058390 (E_RNA)
where:
Base-Base interactions energy: -275.573
where: short stacking energy: -142.569
Base-Backbone interact. energy: -0.878
local terms energy: -156.607803
where:
bonds (distance) C4'-P energy: -29.687
bonds (distance) P-C4' energy: -34.011
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: -40.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -381.880454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.880454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.880454 (E_RNA)
where:
Base-Base interactions energy: -238.566
where: short stacking energy: -121.505
Base-Backbone interact. energy: -1.060
local terms energy: -142.255422
where:
bonds (distance) C4'-P energy: -24.484
bonds (distance) P-C4' energy: -36.398
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -24.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -352.916478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.916478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.916478 (E_RNA)
where:
Base-Base interactions energy: -201.282
where: short stacking energy: -108.399
Base-Backbone interact. energy: -1.540
local terms energy: -150.094446
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -32.649
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: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -353.719710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.719710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.719710 (E_RNA)
where:
Base-Base interactions energy: -216.661
where: short stacking energy: -114.484
Base-Backbone interact. energy: -0.331
local terms energy: -136.728160
where:
bonds (distance) C4'-P energy: -30.531
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -311.272768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.272768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.272768 (E_RNA)
where:
Base-Base interactions energy: -204.859
where: short stacking energy: -82.796
Base-Backbone interact. energy: -0.303
local terms energy: -106.110510
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -4.705
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: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -242.318979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.318979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.318979 (E_RNA)
where:
Base-Base interactions energy: -122.890
where: short stacking energy: -77.434
Base-Backbone interact. energy: -1.021
local terms energy: -118.408255
where:
bonds (distance) C4'-P energy: -30.726
bonds (distance) P-C4' energy: -38.830
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -583.159982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.159982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.159982 (E_RNA)
where:
Base-Base interactions energy: -394.183
where: short stacking energy: -197.233
Base-Backbone interact. energy: -0.434
local terms energy: -188.543155
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -38.206
flat angles P-C4'-P energy: -25.900
tors. eta vs tors. theta energy: -54.841
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: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -530.367989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.367989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.367989 (E_RNA)
where:
Base-Base interactions energy: -363.846
where: short stacking energy: -159.998
Base-Backbone interact. energy: -0.889
local terms energy: -165.632981
where:
bonds (distance) C4'-P energy: -33.093
bonds (distance) P-C4' energy: -31.644
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -40.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -498.917222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.917222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.917222 (E_RNA)
where:
Base-Base interactions energy: -341.891
where: short stacking energy: -158.352
Base-Backbone interact. energy: -0.426
local terms energy: -156.600449
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -28.307
flat angles C4'-P-C4' energy: -32.572
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -43.095
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: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -504.204983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.204983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.204983 (E_RNA)
where:
Base-Base interactions energy: -340.320
where: short stacking energy: -159.937
Base-Backbone interact. energy: -0.168
local terms energy: -163.716645
where:
bonds (distance) C4'-P energy: -25.091
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -25.534
tors. eta vs tors. theta energy: -43.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -441.365099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.365099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.365099 (E_RNA)
where:
Base-Base interactions energy: -275.649
where: short stacking energy: -146.374
Base-Backbone interact. energy: 1.170
local terms energy: -166.885734
where:
bonds (distance) C4'-P energy: -29.644
bonds (distance) P-C4' energy: -34.703
flat angles C4'-P-C4' energy: -32.104
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: -46.883
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -339.744425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.744425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.744425 (E_RNA)
where:
Base-Base interactions energy: -209.463
where: short stacking energy: -105.532
Base-Backbone interact. energy: -0.509
local terms energy: -129.772650
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -390.928560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.928560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.928560 (E_RNA)
where:
Base-Base interactions energy: -246.209
where: short stacking energy: -117.272
Base-Backbone interact. energy: -0.928
local terms energy: -143.791117
where:
bonds (distance) C4'-P energy: -27.863
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -34.945
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -27.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -331.191633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.191633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.191633 (E_RNA)
where:
Base-Base interactions energy: -208.311
where: short stacking energy: -91.327
Base-Backbone interact. energy: -1.007
local terms energy: -121.874461
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -28.813
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -309.081133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.081133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.081133 (E_RNA)
where:
Base-Base interactions energy: -190.967
where: short stacking energy: -102.717
Base-Backbone interact. energy: 0.731
local terms energy: -118.845585
where:
bonds (distance) C4'-P energy: -26.294
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -15.899
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -220.661296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.661296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.661296 (E_RNA)
where:
Base-Base interactions energy: -116.971
where: short stacking energy: -80.224
Base-Backbone interact. energy: 2.788
local terms energy: -106.478726
where:
bonds (distance) C4'-P energy: -25.441
bonds (distance) P-C4' energy: -29.202
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -17.953
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: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -598.656734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.656734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.656734 (E_RNA)
where:
Base-Base interactions energy: -398.876
where: short stacking energy: -203.280
Base-Backbone interact. energy: -0.062
local terms energy: -199.718086
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -40.033
flat angles P-C4'-P energy: -28.993
tors. eta vs tors. theta energy: -55.944
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: 159
Temperature: 0.950000
Total energy: -531.754776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.754776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.754776 (E_RNA)
where:
Base-Base interactions energy: -357.640
where: short stacking energy: -166.476
Base-Backbone interact. energy: 0.714
local terms energy: -174.828415
where:
bonds (distance) C4'-P energy: -36.035
bonds (distance) P-C4' energy: -37.797
flat angles C4'-P-C4' energy: -35.658
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -39.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -484.241267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.241267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.241267 (E_RNA)
where:
Base-Base interactions energy: -324.003
where: short stacking energy: -155.806
Base-Backbone interact. energy: -0.372
local terms energy: -159.866890
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -32.167
flat angles C4'-P-C4' energy: -38.384
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -40.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -514.125858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.125858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.125858 (E_RNA)
where:
Base-Base interactions energy: -348.218
where: short stacking energy: -170.347
Base-Backbone interact. energy: -1.247
local terms energy: -164.660812
where:
bonds (distance) C4'-P energy: -31.641
bonds (distance) P-C4' energy: -30.251
flat angles C4'-P-C4' energy: -36.539
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -42.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -426.191060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.191060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.191060 (E_RNA)
where:
Base-Base interactions energy: -264.873
where: short stacking energy: -128.488
Base-Backbone interact. energy: -1.226
local terms energy: -160.091848
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -31.606
flat angles C4'-P-C4' energy: -29.868
flat angles P-C4'-P energy: -31.008
tors. eta vs tors. theta energy: -36.135
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: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -412.561761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.561761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.561761 (E_RNA)
where:
Base-Base interactions energy: -268.587
where: short stacking energy: -128.804
Base-Backbone interact. energy: -0.624
local terms energy: -143.350766
where:
bonds (distance) C4'-P energy: -33.036
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -26.660
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -28.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -313.477826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.477826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.477826 (E_RNA)
where:
Base-Base interactions energy: -194.697
where: short stacking energy: -103.621
Base-Backbone interact. energy: 7.549
local terms energy: -126.329802
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -29.145
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: -17.446
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: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -313.876965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.876965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.876965 (E_RNA)
where:
Base-Base interactions energy: -204.298
where: short stacking energy: -113.245
Base-Backbone interact. energy: 1.412
local terms energy: -110.990938
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -29.552
flat angles P-C4'-P energy: -8.996
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: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -307.153229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.153229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.153229 (E_RNA)
where:
Base-Base interactions energy: -181.994
where: short stacking energy: -80.918
Base-Backbone interact. energy: -1.142
local terms energy: -124.017460
where:
bonds (distance) C4'-P energy: -29.516
bonds (distance) P-C4' energy: -29.112
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -19.785
tors. eta vs tors. theta energy: -14.571
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: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -213.589837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.589837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.589837 (E_RNA)
where:
Base-Base interactions energy: -118.817
where: short stacking energy: -70.893
Base-Backbone interact. energy: -0.194
local terms energy: -94.579132
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -583.218546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.218546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.218546 (E_RNA)
where:
Base-Base interactions energy: -402.474
where: short stacking energy: -193.148
Base-Backbone interact. energy: -0.366
local terms energy: -180.377886
where:
bonds (distance) C4'-P energy: -26.968
bonds (distance) P-C4' energy: -38.502
flat angles C4'-P-C4' energy: -34.000
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -52.564
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: 160
Temperature: 0.950000
Total energy: -524.497744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.497744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.497744 (E_RNA)
where:
Base-Base interactions energy: -356.068
where: short stacking energy: -166.922
Base-Backbone interact. energy: -1.093
local terms energy: -167.336999
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -34.800
flat angles C4'-P-C4' energy: -35.526
flat angles P-C4'-P energy: -23.262
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -524.669706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.669706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.669706 (E_RNA)
where:
Base-Base interactions energy: -350.179
where: short stacking energy: -166.525
Base-Backbone interact. energy: -0.725
local terms energy: -173.765820
where:
bonds (distance) C4'-P energy: -33.205
bonds (distance) P-C4' energy: -38.617
flat angles C4'-P-C4' energy: -35.261
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -44.287
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: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -489.797055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.797055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.797055 (E_RNA)
where:
Base-Base interactions energy: -329.368
where: short stacking energy: -159.519
Base-Backbone interact. energy: 0.203
local terms energy: -160.632275
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -32.483
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -45.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -432.067408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.067408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.067408 (E_RNA)
where:
Base-Base interactions energy: -276.272
where: short stacking energy: -141.848
Base-Backbone interact. energy: -0.135
local terms energy: -155.660663
where:
bonds (distance) C4'-P energy: -26.434
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -36.889
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -42.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -377.796716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.796716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.796716 (E_RNA)
where:
Base-Base interactions energy: -245.623
where: short stacking energy: -126.629
Base-Backbone interact. energy: -0.249
local terms energy: -131.924647
where:
bonds (distance) C4'-P energy: -30.030
bonds (distance) P-C4' energy: -34.764
flat angles C4'-P-C4' energy: -26.891
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -30.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -349.920523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.920523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.920523 (E_RNA)
where:
Base-Base interactions energy: -213.074
where: short stacking energy: -112.285
Base-Backbone interact. energy: -0.170
local terms energy: -136.676530
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -26.206
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -323.865808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.865808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.865808 (E_RNA)
where:
Base-Base interactions energy: -180.047
where: short stacking energy: -97.651
Base-Backbone interact. energy: -0.656
local terms energy: -143.162718
where:
bonds (distance) C4'-P energy: -33.557
bonds (distance) P-C4' energy: -39.614
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -314.181640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.181640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.181640 (E_RNA)
where:
Base-Base interactions energy: -197.371
where: short stacking energy: -115.437
Base-Backbone interact. energy: 1.436
local terms energy: -118.246192
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -31.988
flat angles C4'-P-C4' energy: -32.060
flat angles P-C4'-P energy: -10.608
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: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -243.834143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.834143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.834143 (E_RNA)
where:
Base-Base interactions energy: -159.065
where: short stacking energy: -55.948
Base-Backbone interact. energy: -0.390
local terms energy: -84.378451
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: 2.223
tors. eta vs tors. theta energy: -0.523
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: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -578.083774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.083774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.083774 (E_RNA)
where:
Base-Base interactions energy: -387.340
where: short stacking energy: -183.611
Base-Backbone interact. energy: 0.000
local terms energy: -190.744514
where:
bonds (distance) C4'-P energy: -36.682
bonds (distance) P-C4' energy: -35.690
flat angles C4'-P-C4' energy: -37.988
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -51.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -544.803724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.803724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.803724 (E_RNA)
where:
Base-Base interactions energy: -356.830
where: short stacking energy: -171.414
Base-Backbone interact. energy: -0.326
local terms energy: -187.647189
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -38.846
flat angles C4'-P-C4' energy: -39.967
flat angles P-C4'-P energy: -26.963
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: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -513.467804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.467804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.467804 (E_RNA)
where:
Base-Base interactions energy: -344.633
where: short stacking energy: -160.149
Base-Backbone interact. energy: -0.497
local terms energy: -168.338445
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -37.956
flat angles C4'-P-C4' energy: -35.864
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -38.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -514.390673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.390673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.390673 (E_RNA)
where:
Base-Base interactions energy: -337.594
where: short stacking energy: -165.571
Base-Backbone interact. energy: -0.942
local terms energy: -175.854524
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -35.117
flat angles C4'-P-C4' energy: -37.654
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -49.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -411.785279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.785279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.785279 (E_RNA)
where:
Base-Base interactions energy: -253.140
where: short stacking energy: -131.709
Base-Backbone interact. energy: -0.139
local terms energy: -158.506850
where:
bonds (distance) C4'-P energy: -36.659
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -33.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -351.307012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.307012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.307012 (E_RNA)
where:
Base-Base interactions energy: -217.156
where: short stacking energy: -97.422
Base-Backbone interact. energy: -0.511
local terms energy: -133.639876
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -33.311
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -17.418
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -348.260314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.260314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.260314 (E_RNA)
where:
Base-Base interactions energy: -210.711
where: short stacking energy: -102.482
Base-Backbone interact. energy: -0.352
local terms energy: -137.197149
where:
bonds (distance) C4'-P energy: -33.864
bonds (distance) P-C4' energy: -33.355
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -18.383
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: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -319.135725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.135725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.135725 (E_RNA)
where:
Base-Base interactions energy: -187.190
where: short stacking energy: -97.024
Base-Backbone interact. energy: -1.099
local terms energy: -130.846292
where:
bonds (distance) C4'-P energy: -32.949
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -31.596
flat angles P-C4'-P energy: -16.623
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: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -284.853751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.853751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.853751 (E_RNA)
where:
Base-Base interactions energy: -168.371
where: short stacking energy: -84.472
Base-Backbone interact. energy: -0.271
local terms energy: -116.211862
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -17.052
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: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -250.652209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.652209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.652209 (E_RNA)
where:
Base-Base interactions energy: -148.712
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.693
local terms energy: -101.247587
where:
bonds (distance) C4'-P energy: -26.352
bonds (distance) P-C4' energy: -28.706
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -577.940538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.940538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.940538 (E_RNA)
where:
Base-Base interactions energy: -382.474
where: short stacking energy: -185.382
Base-Backbone interact. energy: -0.510
local terms energy: -194.956625
where:
bonds (distance) C4'-P energy: -36.436
bonds (distance) P-C4' energy: -39.375
flat angles C4'-P-C4' energy: -41.289
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -52.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -536.073607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.073607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.073607 (E_RNA)
where:
Base-Base interactions energy: -359.576
where: short stacking energy: -169.082
Base-Backbone interact. energy: -0.584
local terms energy: -175.914209
where:
bonds (distance) C4'-P energy: -29.941
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -51.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -515.142198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.142198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.142198 (E_RNA)
where:
Base-Base interactions energy: -349.251
where: short stacking energy: -167.041
Base-Backbone interact. energy: -0.015
local terms energy: -165.875739
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -40.305
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -41.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -472.433928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.433928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.433928 (E_RNA)
where:
Base-Base interactions energy: -307.918
where: short stacking energy: -143.487
Base-Backbone interact. energy: -0.456
local terms energy: -164.059495
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -40.635
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: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -436.430052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.430052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.430052 (E_RNA)
where:
Base-Base interactions energy: -278.184
where: short stacking energy: -132.463
Base-Backbone interact. energy: -0.296
local terms energy: -157.950278
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -40.656
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -29.960
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: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -351.326069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.326069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.326069 (E_RNA)
where:
Base-Base interactions energy: -213.038
where: short stacking energy: -104.551
Base-Backbone interact. energy: -0.231
local terms energy: -138.057879
where:
bonds (distance) C4'-P energy: -25.550
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -25.533
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: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -354.527593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.527593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.527593 (E_RNA)
where:
Base-Base interactions energy: -214.824
where: short stacking energy: -117.265
Base-Backbone interact. energy: -1.101
local terms energy: -138.601880
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -30.221
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -20.756
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: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -300.771423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.771423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.771423 (E_RNA)
where:
Base-Base interactions energy: -184.141
where: short stacking energy: -75.494
Base-Backbone interact. energy: -1.703
local terms energy: -114.927201
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -29.562
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -14.282
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: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -292.428957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.428957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.428957 (E_RNA)
where:
Base-Base interactions energy: -180.963
where: short stacking energy: -86.275
Base-Backbone interact. energy: -0.587
local terms energy: -110.879128
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -25.950
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -14.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -207.144808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.144808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.144808 (E_RNA)
where:
Base-Base interactions energy: -112.587
where: short stacking energy: -61.500
Base-Backbone interact. energy: -1.525
local terms energy: -93.033313
where:
bonds (distance) C4'-P energy: -22.489
bonds (distance) P-C4' energy: -33.123
flat angles C4'-P-C4' energy: -23.786
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -591.937769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.937769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.937769 (E_RNA)
where:
Base-Base interactions energy: -401.224
where: short stacking energy: -197.667
Base-Backbone interact. energy: -0.448
local terms energy: -190.265435
where:
bonds (distance) C4'-P energy: -36.470
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -38.807
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -52.797
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: 163
Temperature: 0.950000
Total energy: -529.319940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.319940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.319940 (E_RNA)
where:
Base-Base interactions energy: -352.496
where: short stacking energy: -171.113
Base-Backbone interact. energy: -0.606
local terms energy: -176.218711
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -38.762
flat angles C4'-P-C4' energy: -36.805
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: -42.567
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: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -496.773528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.773528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.773528 (E_RNA)
where:
Base-Base interactions energy: -335.050
where: short stacking energy: -158.897
Base-Backbone interact. energy: -0.769
local terms energy: -160.953808
where:
bonds (distance) C4'-P energy: -31.028
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -24.111
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: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -470.174527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.174527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.174527 (E_RNA)
where:
Base-Base interactions energy: -294.976
where: short stacking energy: -144.994
Base-Backbone interact. energy: -0.406
local terms energy: -174.792769
where:
bonds (distance) C4'-P energy: -36.750
bonds (distance) P-C4' energy: -39.254
flat angles C4'-P-C4' energy: -33.037
flat angles P-C4'-P energy: -25.844
tors. eta vs tors. theta energy: -39.909
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: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -451.912591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.912591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.912591 (E_RNA)
where:
Base-Base interactions energy: -297.356
where: short stacking energy: -139.516
Base-Backbone interact. energy: -0.275
local terms energy: -154.281883
where:
bonds (distance) C4'-P energy: -30.826
bonds (distance) P-C4' energy: -31.273
flat angles C4'-P-C4' energy: -34.046
flat angles P-C4'-P energy: -25.968
tors. eta vs tors. theta energy: -32.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -349.066929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.066929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.066929 (E_RNA)
where:
Base-Base interactions energy: -213.939
where: short stacking energy: -104.160
Base-Backbone interact. energy: -0.267
local terms energy: -134.860776
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -24.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -343.134185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.134185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.134185 (E_RNA)
where:
Base-Base interactions energy: -212.032
where: short stacking energy: -103.984
Base-Backbone interact. energy: 0.904
local terms energy: -132.006337
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -32.033
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -312.361011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.361011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.361011 (E_RNA)
where:
Base-Base interactions energy: -189.878
where: short stacking energy: -98.943
Base-Backbone interact. energy: 0.849
local terms energy: -123.332178
where:
bonds (distance) C4'-P energy: -34.592
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -303.597454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.597454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.597454 (E_RNA)
where:
Base-Base interactions energy: -171.731
where: short stacking energy: -93.424
Base-Backbone interact. energy: -0.129
local terms energy: -131.737588
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -34.070
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -15.893
tors. eta vs tors. theta energy: -23.252
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: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -218.025661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.025661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.025661 (E_RNA)
where:
Base-Base interactions energy: -122.097
where: short stacking energy: -63.340
Base-Backbone interact. energy: -0.737
local terms energy: -95.191123
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -585.908511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.908511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.908511 (E_RNA)
where:
Base-Base interactions energy: -400.125
where: short stacking energy: -202.691
Base-Backbone interact. energy: -0.011
local terms energy: -185.772695
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -32.734
flat angles C4'-P-C4' energy: -40.310
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -51.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -526.087717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.087717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.087717 (E_RNA)
where:
Base-Base interactions energy: -356.778
where: short stacking energy: -169.568
Base-Backbone interact. energy: -0.813
local terms energy: -168.497042
where:
bonds (distance) C4'-P energy: -32.059
bonds (distance) P-C4' energy: -28.335
flat angles C4'-P-C4' energy: -39.987
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -45.650
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: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -529.307135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.307135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.307135 (E_RNA)
where:
Base-Base interactions energy: -358.006
where: short stacking energy: -168.239
Base-Backbone interact. energy: -0.726
local terms energy: -170.575323
where:
bonds (distance) C4'-P energy: -32.911
bonds (distance) P-C4' energy: -30.132
flat angles C4'-P-C4' energy: -35.503
flat angles P-C4'-P energy: -26.998
tors. eta vs tors. theta energy: -45.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -483.332142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.332142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.332142 (E_RNA)
where:
Base-Base interactions energy: -315.623
where: short stacking energy: -156.425
Base-Backbone interact. energy: -0.052
local terms energy: -167.657790
where:
bonds (distance) C4'-P energy: -33.823
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -36.175
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -46.288
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: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -453.654063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.654063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.654063 (E_RNA)
where:
Base-Base interactions energy: -292.561
where: short stacking energy: -138.409
Base-Backbone interact. energy: 0.373
local terms energy: -161.465695
where:
bonds (distance) C4'-P energy: -37.566
bonds (distance) P-C4' energy: -34.667
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -36.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -341.436040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.436040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.436040 (E_RNA)
where:
Base-Base interactions energy: -197.850
where: short stacking energy: -100.280
Base-Backbone interact. energy: 0.724
local terms energy: -144.310222
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -21.475
tors. eta vs tors. theta energy: -20.384
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: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -324.543596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.543596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.543596 (E_RNA)
where:
Base-Base interactions energy: -201.989
where: short stacking energy: -100.059
Base-Backbone interact. energy: -0.222
local terms energy: -122.332800
where:
bonds (distance) C4'-P energy: -28.714
bonds (distance) P-C4' energy: -29.765
flat angles C4'-P-C4' energy: -31.961
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -324.942362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.942362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.942362 (E_RNA)
where:
Base-Base interactions energy: -194.655
where: short stacking energy: -92.881
Base-Backbone interact. energy: -0.396
local terms energy: -129.890606
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -17.755
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: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -285.242806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.242806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.242806 (E_RNA)
where:
Base-Base interactions energy: -177.812
where: short stacking energy: -85.587
Base-Backbone interact. energy: -0.921
local terms energy: -106.509843
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -12.022
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: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -221.368544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.368544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.368544 (E_RNA)
where:
Base-Base interactions energy: -110.218
where: short stacking energy: -68.049
Base-Backbone interact. energy: 1.367
local terms energy: -112.516703
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -31.376
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -5.466
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: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -582.733972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.733972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.733972 (E_RNA)
where:
Base-Base interactions energy: -380.216
where: short stacking energy: -189.653
Base-Backbone interact. energy: -0.521
local terms energy: -201.996743
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -35.045
flat angles C4'-P-C4' energy: -41.285
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -58.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -515.285397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.285397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.285397 (E_RNA)
where:
Base-Base interactions energy: -350.854
where: short stacking energy: -148.877
Base-Backbone interact. energy: 2.421
local terms energy: -166.852638
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -38.527
flat angles C4'-P-C4' energy: -36.132
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -40.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -513.294043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.294043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.294043 (E_RNA)
where:
Base-Base interactions energy: -334.814
where: short stacking energy: -147.938
Base-Backbone interact. energy: -0.676
local terms energy: -177.804236
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -36.342
flat angles C4'-P-C4' energy: -38.610
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -41.712
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: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -502.743376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.743376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.743376 (E_RNA)
where:
Base-Base interactions energy: -338.201
where: short stacking energy: -164.637
Base-Backbone interact. energy: -0.701
local terms energy: -163.841053
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -37.626
flat angles C4'-P-C4' energy: -32.492
flat angles P-C4'-P energy: -25.095
tors. eta vs tors. theta energy: -44.315
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: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -464.565909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.565909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.565909 (E_RNA)
where:
Base-Base interactions energy: -307.145
where: short stacking energy: -153.693
Base-Backbone interact. energy: 1.301
local terms energy: -158.721694
where:
bonds (distance) C4'-P energy: -31.095
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -35.837
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -41.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -354.441044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.441044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.441044 (E_RNA)
where:
Base-Base interactions energy: -222.299
where: short stacking energy: -123.257
Base-Backbone interact. energy: -0.298
local terms energy: -131.844502
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -25.745
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -333.111553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.111553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.111553 (E_RNA)
where:
Base-Base interactions energy: -189.115
where: short stacking energy: -102.824
Base-Backbone interact. energy: -0.507
local terms energy: -143.490122
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -34.990
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -25.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -318.713713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.713713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.713713 (E_RNA)
where:
Base-Base interactions energy: -195.596
where: short stacking energy: -103.959
Base-Backbone interact. energy: -0.257
local terms energy: -122.861642
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -33.215
flat angles C4'-P-C4' energy: -27.137
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -262.806456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.806456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.806456 (E_RNA)
where:
Base-Base interactions energy: -165.683
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.552
local terms energy: -96.572114
where:
bonds (distance) C4'-P energy: -29.056
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: 1.440
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: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -220.456301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.456301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.456301 (E_RNA)
where:
Base-Base interactions energy: -115.976
where: short stacking energy: -45.440
Base-Backbone interact. energy: -0.382
local terms energy: -104.097435
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: 1.829
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: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -570.435334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.435334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.435334 (E_RNA)
where:
Base-Base interactions energy: -380.976
where: short stacking energy: -178.957
Base-Backbone interact. energy: -0.069
local terms energy: -189.390276
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -40.336
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -54.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -524.553280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.553280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.553280 (E_RNA)
where:
Base-Base interactions energy: -352.742
where: short stacking energy: -157.120
Base-Backbone interact. energy: -0.624
local terms energy: -171.188145
where:
bonds (distance) C4'-P energy: -30.555
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -41.003
flat angles P-C4'-P energy: -25.035
tors. eta vs tors. theta energy: -41.279
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: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -533.390669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.390669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.390669 (E_RNA)
where:
Base-Base interactions energy: -357.734
where: short stacking energy: -169.351
Base-Backbone interact. energy: -0.181
local terms energy: -175.475907
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -33.354
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -46.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -483.578544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.578544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.578544 (E_RNA)
where:
Base-Base interactions energy: -328.340
where: short stacking energy: -151.719
Base-Backbone interact. energy: -0.270
local terms energy: -154.968684
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: -38.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -428.979853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.979853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.979853 (E_RNA)
where:
Base-Base interactions energy: -273.093
where: short stacking energy: -129.223
Base-Backbone interact. energy: 0.829
local terms energy: -156.716315
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: -32.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -369.686400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.686400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.686400 (E_RNA)
where:
Base-Base interactions energy: -226.616
where: short stacking energy: -121.443
Base-Backbone interact. energy: 0.046
local terms energy: -143.116226
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -339.789094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.789094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.789094 (E_RNA)
where:
Base-Base interactions energy: -206.484
where: short stacking energy: -94.488
Base-Backbone interact. energy: -0.334
local terms energy: -132.971175
where:
bonds (distance) C4'-P energy: -26.981
bonds (distance) P-C4' energy: -38.653
flat angles C4'-P-C4' energy: -36.411
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -319.505366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.505366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.505366 (E_RNA)
where:
Base-Base interactions energy: -190.415
where: short stacking energy: -99.396
Base-Backbone interact. energy: -0.252
local terms energy: -128.838465
where:
bonds (distance) C4'-P energy: -22.378
bonds (distance) P-C4' energy: -33.479
flat angles C4'-P-C4' energy: -39.786
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -281.038717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.038717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.038717 (E_RNA)
where:
Base-Base interactions energy: -167.450
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.544
local terms energy: -113.044838
where:
bonds (distance) C4'-P energy: -36.099
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -25.745
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -236.083403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.083403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.083403 (E_RNA)
where:
Base-Base interactions energy: -127.681
where: short stacking energy: -78.153
Base-Backbone interact. energy: 1.998
local terms energy: -110.400425
where:
bonds (distance) C4'-P energy: -27.352
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -30.983
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -577.324408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.324408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.324408 (E_RNA)
where:
Base-Base interactions energy: -394.048
where: short stacking energy: -187.627
Base-Backbone interact. energy: -0.052
local terms energy: -183.224351
where:
bonds (distance) C4'-P energy: -32.242
bonds (distance) P-C4' energy: -35.684
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -49.595
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: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -540.037241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.037241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.037241 (E_RNA)
where:
Base-Base interactions energy: -363.854
where: short stacking energy: -170.717
Base-Backbone interact. energy: -0.641
local terms energy: -175.542297
where:
bonds (distance) C4'-P energy: -30.569
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -41.189
flat angles P-C4'-P energy: -28.662
tors. eta vs tors. theta energy: -44.695
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: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -505.898382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.898382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.898382 (E_RNA)
where:
Base-Base interactions energy: -347.512
where: short stacking energy: -158.230
Base-Backbone interact. energy: 0.943
local terms energy: -159.329241
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -31.589
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -40.211
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: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -493.863174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.863174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.863174 (E_RNA)
where:
Base-Base interactions energy: -327.719
where: short stacking energy: -160.957
Base-Backbone interact. energy: -0.088
local terms energy: -166.055251
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -42.187
flat angles P-C4'-P energy: -22.751
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: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -448.955575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.955575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.955575 (E_RNA)
where:
Base-Base interactions energy: -297.886
where: short stacking energy: -144.156
Base-Backbone interact. energy: -0.139
local terms energy: -150.930370
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -33.834
flat angles C4'-P-C4' energy: -28.041
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -33.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -371.460430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.460430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.460430 (E_RNA)
where:
Base-Base interactions energy: -221.280
where: short stacking energy: -117.774
Base-Backbone interact. energy: -0.993
local terms energy: -149.187820
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: -29.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -327.592729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.592729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.592729 (E_RNA)
where:
Base-Base interactions energy: -192.867
where: short stacking energy: -104.482
Base-Backbone interact. energy: -0.193
local terms energy: -134.532464
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -36.111
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -333.091150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.091150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.091150 (E_RNA)
where:
Base-Base interactions energy: -213.020
where: short stacking energy: -96.338
Base-Backbone interact. energy: 0.118
local terms energy: -120.189294
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -35.658
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -272.692328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.692328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.692328 (E_RNA)
where:
Base-Base interactions energy: -170.185
where: short stacking energy: -90.232
Base-Backbone interact. energy: 0.090
local terms energy: -102.596915
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -29.182
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -206.849273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.849273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.849273 (E_RNA)
where:
Base-Base interactions energy: -102.354
where: short stacking energy: -54.149
Base-Backbone interact. energy: -0.488
local terms energy: -104.007908
where:
bonds (distance) C4'-P energy: -27.203
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -20.500
tors. eta vs tors. theta energy: 3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -564.844809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.844809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.844809 (E_RNA)
where:
Base-Base interactions energy: -382.081
where: short stacking energy: -184.255
Base-Backbone interact. energy: -0.323
local terms energy: -182.441066
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -31.410
flat angles C4'-P-C4' energy: -40.362
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -53.510
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: 168
Temperature: 0.950000
Total energy: -541.645614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.645614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.645614 (E_RNA)
where:
Base-Base interactions energy: -356.948
where: short stacking energy: -172.635
Base-Backbone interact. energy: -0.400
local terms energy: -184.296887
where:
bonds (distance) C4'-P energy: -41.269
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -31.346
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -48.647
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: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -494.562108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.562108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.562108 (E_RNA)
where:
Base-Base interactions energy: -312.815
where: short stacking energy: -155.530
Base-Backbone interact. energy: -0.266
local terms energy: -181.481295
where:
bonds (distance) C4'-P energy: -36.236
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -38.679
flat angles P-C4'-P energy: -29.480
tors. eta vs tors. theta energy: -43.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -481.573983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.573983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.573983 (E_RNA)
where:
Base-Base interactions energy: -320.820
where: short stacking energy: -151.488
Base-Backbone interact. energy: 0.420
local terms energy: -161.173341
where:
bonds (distance) C4'-P energy: -29.368
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -38.836
flat angles P-C4'-P energy: -24.309
tors. eta vs tors. theta energy: -30.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -395.164816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.164816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.164816 (E_RNA)
where:
Base-Base interactions energy: -243.113
where: short stacking energy: -118.920
Base-Backbone interact. energy: -2.316
local terms energy: -149.735317
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -32.119
flat angles C4'-P-C4' energy: -37.836
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -435.341117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.341117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.341117 (E_RNA)
where:
Base-Base interactions energy: -288.340
where: short stacking energy: -153.791
Base-Backbone interact. energy: 1.802
local terms energy: -148.803078
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -31.464
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -37.738
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -327.809290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.809290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.809290 (E_RNA)
where:
Base-Base interactions energy: -196.475
where: short stacking energy: -107.267
Base-Backbone interact. energy: -0.905
local terms energy: -130.429576
where:
bonds (distance) C4'-P energy: -32.515
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -317.502369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.502369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.502369 (E_RNA)
where:
Base-Base interactions energy: -189.164
where: short stacking energy: -94.059
Base-Backbone interact. energy: -0.550
local terms energy: -127.788088
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -302.852747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.852747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.852747 (E_RNA)
where:
Base-Base interactions energy: -171.717
where: short stacking energy: -87.244
Base-Backbone interact. energy: -0.175
local terms energy: -130.961235
where:
bonds (distance) C4'-P energy: -29.559
bonds (distance) P-C4' energy: -27.161
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -15.994
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: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -208.910302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.910302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.910302 (E_RNA)
where:
Base-Base interactions energy: -96.379
where: short stacking energy: -73.652
Base-Backbone interact. energy: -0.702
local terms energy: -111.829696
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -578.682625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.682625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.682625 (E_RNA)
where:
Base-Base interactions energy: -393.856
where: short stacking energy: -188.617
Base-Backbone interact. energy: -1.382
local terms energy: -183.444400
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -32.384
flat angles C4'-P-C4' energy: -37.623
flat angles P-C4'-P energy: -25.836
tors. eta vs tors. theta energy: -52.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -549.515296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.515296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.515296 (E_RNA)
where:
Base-Base interactions energy: -365.780
where: short stacking energy: -161.673
Base-Backbone interact. energy: -1.792
local terms energy: -181.943495
where:
bonds (distance) C4'-P energy: -36.403
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -37.034
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -49.602
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: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -489.140124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.140124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.140124 (E_RNA)
where:
Base-Base interactions energy: -323.840
where: short stacking energy: -155.718
Base-Backbone interact. energy: 1.450
local terms energy: -166.749778
where:
bonds (distance) C4'-P energy: -33.346
bonds (distance) P-C4' energy: -33.063
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -26.410
tors. eta vs tors. theta energy: -40.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -484.002463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.002463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.002463 (E_RNA)
where:
Base-Base interactions energy: -326.104
where: short stacking energy: -144.018
Base-Backbone interact. energy: -0.447
local terms energy: -157.451157
where:
bonds (distance) C4'-P energy: -28.986
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -36.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -388.777918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.777918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.777918 (E_RNA)
where:
Base-Base interactions energy: -244.332
where: short stacking energy: -125.988
Base-Backbone interact. energy: -0.402
local terms energy: -144.044589
where:
bonds (distance) C4'-P energy: -26.805
bonds (distance) P-C4' energy: -34.874
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -23.431
tors. eta vs tors. theta energy: -25.791
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: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -400.098293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.098293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.098293 (E_RNA)
where:
Base-Base interactions energy: -256.790
where: short stacking energy: -125.436
Base-Backbone interact. energy: -0.142
local terms energy: -143.166178
where:
bonds (distance) C4'-P energy: -31.552
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -26.417
flat angles P-C4'-P energy: -21.213
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -309.349069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.349069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.349069 (E_RNA)
where:
Base-Base interactions energy: -191.897
where: short stacking energy: -85.674
Base-Backbone interact. energy: 0.069
local terms energy: -117.521013
where:
bonds (distance) C4'-P energy: -32.203
bonds (distance) P-C4' energy: -36.717
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -315.061293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.061293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.061293 (E_RNA)
where:
Base-Base interactions energy: -191.894
where: short stacking energy: -107.255
Base-Backbone interact. energy: -0.384
local terms energy: -122.783175
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -20.184
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: 169
Temperature: 1.300000
Total energy: -311.011114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.011114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.011114 (E_RNA)
where:
Base-Base interactions energy: -191.360
where: short stacking energy: -103.717
Base-Backbone interact. energy: -0.268
local terms energy: -119.383420
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -33.862
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -161.676397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.676397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.676397 (E_RNA)
where:
Base-Base interactions energy: -74.232
where: short stacking energy: -54.114
Base-Backbone interact. energy: -0.651
local terms energy: -86.793286
where:
bonds (distance) C4'-P energy: -23.370
bonds (distance) P-C4' energy: -35.895
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: 0.625
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: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -576.104593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.104593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.104593 (E_RNA)
where:
Base-Base interactions energy: -380.247
where: short stacking energy: -188.322
Base-Backbone interact. energy: -0.185
local terms energy: -195.672790
where:
bonds (distance) C4'-P energy: -34.241
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -42.844
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -50.380
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: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -526.893825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.893825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.893825 (E_RNA)
where:
Base-Base interactions energy: -352.261
where: short stacking energy: -157.600
Base-Backbone interact. energy: -1.572
local terms energy: -173.060436
where:
bonds (distance) C4'-P energy: -36.572
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -37.974
flat angles P-C4'-P energy: -25.229
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: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -527.359925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.359925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.359925 (E_RNA)
where:
Base-Base interactions energy: -345.969
where: short stacking energy: -168.064
Base-Backbone interact. energy: 0.614
local terms energy: -182.005446
where:
bonds (distance) C4'-P energy: -39.627
bonds (distance) P-C4' energy: -34.818
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -27.733
tors. eta vs tors. theta energy: -45.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -496.975763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.975763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.975763 (E_RNA)
where:
Base-Base interactions energy: -340.687
where: short stacking energy: -146.168
Base-Backbone interact. energy: -0.571
local terms energy: -155.718022
where:
bonds (distance) C4'-P energy: -26.145
bonds (distance) P-C4' energy: -34.126
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -36.193
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: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -426.154992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.154992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.154992 (E_RNA)
where:
Base-Base interactions energy: -262.521
where: short stacking energy: -137.631
Base-Backbone interact. energy: -0.186
local terms energy: -163.448779
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -38.319
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -37.464
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: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -362.421790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.421790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.421790 (E_RNA)
where:
Base-Base interactions energy: -226.162
where: short stacking energy: -121.857
Base-Backbone interact. energy: -0.085
local terms energy: -136.174806
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -30.419
flat angles C4'-P-C4' energy: -34.953
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -25.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -360.052325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.052325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.052325 (E_RNA)
where:
Base-Base interactions energy: -215.710
where: short stacking energy: -114.964
Base-Backbone interact. energy: -0.927
local terms energy: -143.414604
where:
bonds (distance) C4'-P energy: -27.898
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -27.343
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: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -320.913360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.913360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.913360 (E_RNA)
where:
Base-Base interactions energy: -196.085
where: short stacking energy: -98.776
Base-Backbone interact. energy: -0.395
local terms energy: -124.433219
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -288.633223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.633223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.633223 (E_RNA)
where:
Base-Base interactions energy: -168.763
where: short stacking energy: -88.937
Base-Backbone interact. energy: -0.621
local terms energy: -119.249706
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -26.431
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -15.072
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: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -199.192169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.192169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.192169 (E_RNA)
where:
Base-Base interactions energy: -93.314
where: short stacking energy: -59.118
Base-Backbone interact. energy: 3.190
local terms energy: -109.068183
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -23.828
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -582.602943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.602943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.602943 (E_RNA)
where:
Base-Base interactions energy: -389.055
where: short stacking energy: -198.103
Base-Backbone interact. energy: -0.054
local terms energy: -193.493623
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -40.149
flat angles P-C4'-P energy: -31.085
tors. eta vs tors. theta energy: -54.774
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: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -529.082505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.082505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.082505 (E_RNA)
where:
Base-Base interactions energy: -357.945
where: short stacking energy: -172.765
Base-Backbone interact. energy: 3.154
local terms energy: -174.291703
where:
bonds (distance) C4'-P energy: -32.957
bonds (distance) P-C4' energy: -35.598
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -51.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -507.030625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.030625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.030625 (E_RNA)
where:
Base-Base interactions energy: -343.615
where: short stacking energy: -151.640
Base-Backbone interact. energy: -0.719
local terms energy: -162.696729
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -30.681
flat angles C4'-P-C4' energy: -35.093
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -45.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -481.600725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.600725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.600725 (E_RNA)
where:
Base-Base interactions energy: -328.883
where: short stacking energy: -145.164
Base-Backbone interact. energy: 1.055
local terms energy: -153.773331
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -36.104
flat angles P-C4'-P energy: -29.328
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: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -435.083565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.083565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.083565 (E_RNA)
where:
Base-Base interactions energy: -289.953
where: short stacking energy: -149.243
Base-Backbone interact. energy: -0.154
local terms energy: -144.976183
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -37.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -354.362777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.362777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.362777 (E_RNA)
where:
Base-Base interactions energy: -210.732
where: short stacking energy: -118.082
Base-Backbone interact. energy: -0.767
local terms energy: -142.863383
where:
bonds (distance) C4'-P energy: -30.809
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -19.580
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: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -365.951345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.951345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.951345 (E_RNA)
where:
Base-Base interactions energy: -227.849
where: short stacking energy: -117.529
Base-Backbone interact. energy: 0.871
local terms energy: -138.973525
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -30.335
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -28.790
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: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -298.103335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.103335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.103335 (E_RNA)
where:
Base-Base interactions energy: -192.943
where: short stacking energy: -108.425
Base-Backbone interact. energy: -0.306
local terms energy: -104.854559
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -17.471
tors. eta vs tors. theta energy: -16.276
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: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -269.044338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.044338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.044338 (E_RNA)
where:
Base-Base interactions energy: -160.800
where: short stacking energy: -81.124
Base-Backbone interact. energy: -0.826
local terms energy: -107.418421
where:
bonds (distance) C4'-P energy: -26.458
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -199.728298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.728298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.728298 (E_RNA)
where:
Base-Base interactions energy: -110.735
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.449
local terms energy: -88.544158
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -587.109221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.109221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.109221 (E_RNA)
where:
Base-Base interactions energy: -394.108
where: short stacking energy: -204.037
Base-Backbone interact. energy: -0.015
local terms energy: -192.985861
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -33.973
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: -54.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -532.879193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.879193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.879193 (E_RNA)
where:
Base-Base interactions energy: -353.853
where: short stacking energy: -182.199
Base-Backbone interact. energy: -0.471
local terms energy: -178.554782
where:
bonds (distance) C4'-P energy: -33.373
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -40.835
flat angles P-C4'-P energy: -25.643
tors. eta vs tors. theta energy: -47.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -502.744657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.744657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.744657 (E_RNA)
where:
Base-Base interactions energy: -328.439
where: short stacking energy: -146.989
Base-Backbone interact. energy: 1.451
local terms energy: -175.756475
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -25.809
tors. eta vs tors. theta energy: -42.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -504.853971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.853971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.853971 (E_RNA)
where:
Base-Base interactions energy: -338.990
where: short stacking energy: -152.149
Base-Backbone interact. energy: -0.649
local terms energy: -165.214717
where:
bonds (distance) C4'-P energy: -25.026
bonds (distance) P-C4' energy: -34.418
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -41.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -440.331074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.331074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.331074 (E_RNA)
where:
Base-Base interactions energy: -287.646
where: short stacking energy: -131.814
Base-Backbone interact. energy: 0.278
local terms energy: -152.963219
where:
bonds (distance) C4'-P energy: -35.497
bonds (distance) P-C4' energy: -34.870
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -31.540
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: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -362.910917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.910917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.910917 (E_RNA)
where:
Base-Base interactions energy: -224.072
where: short stacking energy: -106.423
Base-Backbone interact. energy: -0.351
local terms energy: -138.487689
where:
bonds (distance) C4'-P energy: -26.616
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -28.186
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -25.348
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: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -336.071688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.071688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.071688 (E_RNA)
where:
Base-Base interactions energy: -211.227
where: short stacking energy: -89.992
Base-Backbone interact. energy: -1.125
local terms energy: -123.720272
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -35.875
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -321.665646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.665646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.665646 (E_RNA)
where:
Base-Base interactions energy: -194.039
where: short stacking energy: -98.516
Base-Backbone interact. energy: -0.454
local terms energy: -127.171957
where:
bonds (distance) C4'-P energy: -25.169
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -26.733
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: 172
Temperature: 1.300000
Total energy: -157.877995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.877995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.877995 (E_RNA)
where:
Base-Base interactions energy: -57.186
where: short stacking energy: -55.621
Base-Backbone interact. energy: 0.057
local terms energy: -100.749015
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -36.042
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -285.242085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.242085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.242085 (E_RNA)
where:
Base-Base interactions energy: -167.041
where: short stacking energy: -77.650
Base-Backbone interact. energy: 1.209
local terms energy: -119.410239
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -37.010
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -558.250455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.250455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.250455 (E_RNA)
where:
Base-Base interactions energy: -382.093
where: short stacking energy: -179.452
Base-Backbone interact. energy: -0.111
local terms energy: -176.046257
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -33.953
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -45.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -540.894966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.894966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.894966 (E_RNA)
where:
Base-Base interactions energy: -365.083
where: short stacking energy: -177.610
Base-Backbone interact. energy: -0.045
local terms energy: -175.766475
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -32.944
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -52.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -493.366928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.366928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.366928 (E_RNA)
where:
Base-Base interactions energy: -337.312
where: short stacking energy: -146.813
Base-Backbone interact. energy: -1.313
local terms energy: -154.742038
where:
bonds (distance) C4'-P energy: -33.847
bonds (distance) P-C4' energy: -31.709
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -38.446
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: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -517.581466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.581466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.581466 (E_RNA)
where:
Base-Base interactions energy: -344.919
where: short stacking energy: -154.539
Base-Backbone interact. energy: -1.291
local terms energy: -171.371670
where:
bonds (distance) C4'-P energy: -33.342
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -22.851
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: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -417.190979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.190979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.190979 (E_RNA)
where:
Base-Base interactions energy: -260.158
where: short stacking energy: -126.287
Base-Backbone interact. energy: -0.319
local terms energy: -156.713691
where:
bonds (distance) C4'-P energy: -32.924
bonds (distance) P-C4' energy: -33.485
flat angles C4'-P-C4' energy: -38.531
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -366.128848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.128848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.128848 (E_RNA)
where:
Base-Base interactions energy: -228.350
where: short stacking energy: -119.650
Base-Backbone interact. energy: 0.168
local terms energy: -137.947256
where:
bonds (distance) C4'-P energy: -29.021
bonds (distance) P-C4' energy: -29.142
flat angles C4'-P-C4' energy: -34.827
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -26.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -352.887008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.887008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.887008 (E_RNA)
where:
Base-Base interactions energy: -222.042
where: short stacking energy: -109.641
Base-Backbone interact. energy: -1.607
local terms energy: -129.238100
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -29.655
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -24.243
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: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -318.208028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.208028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.208028 (E_RNA)
where:
Base-Base interactions energy: -189.303
where: short stacking energy: -89.385
Base-Backbone interact. energy: -0.361
local terms energy: -128.544449
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -23.314
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: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -182.234815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.234815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.234815 (E_RNA)
where:
Base-Base interactions energy: -65.165
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.100
local terms energy: -116.969373
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -29.339
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -10.720
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: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -318.639570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.639570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.639570 (E_RNA)
where:
Base-Base interactions energy: -198.982
where: short stacking energy: -94.083
Base-Backbone interact. energy: 0.153
local terms energy: -119.810377
where:
bonds (distance) C4'-P energy: -35.835
bonds (distance) P-C4' energy: -30.026
flat angles C4'-P-C4' energy: -24.448
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -566.259145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.259145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.259145 (E_RNA)
where:
Base-Base interactions energy: -381.449
where: short stacking energy: -191.353
Base-Backbone interact. energy: -0.462
local terms energy: -184.348526
where:
bonds (distance) C4'-P energy: -34.303
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -36.639
flat angles P-C4'-P energy: -25.052
tors. eta vs tors. theta energy: -54.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -527.629168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.629168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.629168 (E_RNA)
where:
Base-Base interactions energy: -348.784
where: short stacking energy: -171.485
Base-Backbone interact. energy: -0.242
local terms energy: -178.603257
where:
bonds (distance) C4'-P energy: -29.752
bonds (distance) P-C4' energy: -35.975
flat angles C4'-P-C4' energy: -34.964
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -50.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -528.058085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.058085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.058085 (E_RNA)
where:
Base-Base interactions energy: -359.542
where: short stacking energy: -167.134
Base-Backbone interact. energy: -1.098
local terms energy: -167.418493
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -37.916
flat angles P-C4'-P energy: -22.156
tors. eta vs tors. theta energy: -43.101
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: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -484.731340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.731340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.731340 (E_RNA)
where:
Base-Base interactions energy: -325.836
where: short stacking energy: -145.524
Base-Backbone interact. energy: -0.050
local terms energy: -158.845812
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -402.995305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.995305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.995305 (E_RNA)
where:
Base-Base interactions energy: -263.893
where: short stacking energy: -114.585
Base-Backbone interact. energy: -0.273
local terms energy: -138.829923
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -26.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -373.818101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.818101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.818101 (E_RNA)
where:
Base-Base interactions energy: -223.403
where: short stacking energy: -115.954
Base-Backbone interact. energy: -0.337
local terms energy: -150.077202
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -37.999
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -31.590
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: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -368.489742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.489742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.489742 (E_RNA)
where:
Base-Base interactions energy: -222.861
where: short stacking energy: -109.066
Base-Backbone interact. energy: -0.152
local terms energy: -145.476813
where:
bonds (distance) C4'-P energy: -30.746
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -24.170
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: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -315.983120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.983120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.983120 (E_RNA)
where:
Base-Base interactions energy: -199.105
where: short stacking energy: -92.681
Base-Backbone interact. energy: 0.271
local terms energy: -117.148595
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -29.799
flat angles C4'-P-C4' energy: -32.487
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -291.058512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.058512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.058512 (E_RNA)
where:
Base-Base interactions energy: -170.668
where: short stacking energy: -85.010
Base-Backbone interact. energy: -1.550
local terms energy: -118.840675
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -18.359
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -152.297934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.297934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.297934 (E_RNA)
where:
Base-Base interactions energy: -56.024
where: short stacking energy: -55.304
Base-Backbone interact. energy: -0.529
local terms energy: -95.745206
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -33.661
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: 4.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -578.032884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.032884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.032884 (E_RNA)
where:
Base-Base interactions energy: -382.330
where: short stacking energy: -196.779
Base-Backbone interact. energy: -0.204
local terms energy: -195.498630
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -31.176
flat angles C4'-P-C4' energy: -43.346
flat angles P-C4'-P energy: -28.721
tors. eta vs tors. theta energy: -57.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -535.853529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.853529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.853529 (E_RNA)
where:
Base-Base interactions energy: -357.015
where: short stacking energy: -178.771
Base-Backbone interact. energy: -0.458
local terms energy: -178.381173
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -26.659
tors. eta vs tors. theta energy: -48.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -494.496408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.496408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.496408 (E_RNA)
where:
Base-Base interactions energy: -327.471
where: short stacking energy: -155.545
Base-Backbone interact. energy: -0.352
local terms energy: -166.673587
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -33.757
flat angles C4'-P-C4' energy: -37.429
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -38.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -495.489773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.489773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.489773 (E_RNA)
where:
Base-Base interactions energy: -335.310
where: short stacking energy: -147.946
Base-Backbone interact. energy: -1.424
local terms energy: -158.755263
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -39.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -425.859097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.859097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.859097 (E_RNA)
where:
Base-Base interactions energy: -275.623
where: short stacking energy: -129.621
Base-Backbone interact. energy: -0.522
local terms energy: -149.713707
where:
bonds (distance) C4'-P energy: -33.871
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -25.033
tors. eta vs tors. theta energy: -26.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -364.070963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.070963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.070963 (E_RNA)
where:
Base-Base interactions energy: -246.077
where: short stacking energy: -112.994
Base-Backbone interact. energy: 2.176
local terms energy: -120.169716
where:
bonds (distance) C4'-P energy: -28.796
bonds (distance) P-C4' energy: -31.940
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -20.939
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: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -344.422478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.422478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.422478 (E_RNA)
where:
Base-Base interactions energy: -206.235
where: short stacking energy: -111.939
Base-Backbone interact. energy: -1.291
local terms energy: -136.896932
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -31.595
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -28.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -311.674380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.674380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.674380 (E_RNA)
where:
Base-Base interactions energy: -186.444
where: short stacking energy: -103.323
Base-Backbone interact. energy: -0.633
local terms energy: -124.597577
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -314.719834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.719834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.719834 (E_RNA)
where:
Base-Base interactions energy: -188.614
where: short stacking energy: -95.636
Base-Backbone interact. energy: -0.265
local terms energy: -125.840951
where:
bonds (distance) C4'-P energy: -34.938
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -38.495
flat angles P-C4'-P energy: -5.281
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: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -167.752326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.752326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.752326 (E_RNA)
where:
Base-Base interactions energy: -50.593
where: short stacking energy: -51.396
Base-Backbone interact. energy: 1.092
local terms energy: -118.251820
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -7.591
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -572.978129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.978129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.978129 (E_RNA)
where:
Base-Base interactions energy: -374.700
where: short stacking energy: -179.107
Base-Backbone interact. energy: -0.282
local terms energy: -197.995917
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -40.530
flat angles C4'-P-C4' energy: -40.117
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -52.277
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: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -526.179951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.179951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.179951 (E_RNA)
where:
Base-Base interactions energy: -343.382
where: short stacking energy: -172.942
Base-Backbone interact. energy: 0.052
local terms energy: -182.850203
where:
bonds (distance) C4'-P energy: -35.095
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -37.602
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -47.906
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: 176
Temperature: 1.000000
Total energy: -507.869173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.869173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.869173 (E_RNA)
where:
Base-Base interactions energy: -339.524
where: short stacking energy: -150.090
Base-Backbone interact. energy: -0.729
local terms energy: -167.615769
where:
bonds (distance) C4'-P energy: -28.449
bonds (distance) P-C4' energy: -32.015
flat angles C4'-P-C4' energy: -37.314
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -38.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -473.777138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.777138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.777138 (E_RNA)
where:
Base-Base interactions energy: -318.382
where: short stacking energy: -150.892
Base-Backbone interact. energy: -0.444
local terms energy: -154.951316
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -30.084
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -39.139
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: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -447.855853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.855853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.855853 (E_RNA)
where:
Base-Base interactions energy: -282.449
where: short stacking energy: -146.809
Base-Backbone interact. energy: -0.255
local terms energy: -165.152243
where:
bonds (distance) C4'-P energy: -31.456
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -42.079
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: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -340.497569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.497569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.497569 (E_RNA)
where:
Base-Base interactions energy: -227.955
where: short stacking energy: -116.735
Base-Backbone interact. energy: -0.490
local terms energy: -112.051904
where:
bonds (distance) C4'-P energy: -27.497
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -6.913
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: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -339.009043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.009043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.009043 (E_RNA)
where:
Base-Base interactions energy: -198.118
where: short stacking energy: -104.227
Base-Backbone interact. energy: -0.608
local terms energy: -140.283637
where:
bonds (distance) C4'-P energy: -31.117
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -31.098
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -368.624603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.624603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.624603 (E_RNA)
where:
Base-Base interactions energy: -229.834
where: short stacking energy: -115.781
Base-Backbone interact. energy: -0.645
local terms energy: -138.146493
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -31.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -301.633096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.633096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.633096 (E_RNA)
where:
Base-Base interactions energy: -185.789
where: short stacking energy: -93.093
Base-Backbone interact. energy: 0.530
local terms energy: -116.374445
where:
bonds (distance) C4'-P energy: -28.712
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -22.868
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -170.418723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.418723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.418723 (E_RNA)
where:
Base-Base interactions energy: -83.153
where: short stacking energy: -49.716
Base-Backbone interact. energy: 0.099
local terms energy: -87.364361
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: 8.143
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: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -579.686302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.686302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.686302 (E_RNA)
where:
Base-Base interactions energy: -387.119
where: short stacking energy: -180.408
Base-Backbone interact. energy: -0.283
local terms energy: -192.284561
where:
bonds (distance) C4'-P energy: -37.705
bonds (distance) P-C4' energy: -37.095
flat angles C4'-P-C4' energy: -38.935
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -53.371
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: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -515.243887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.243887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.243887 (E_RNA)
where:
Base-Base interactions energy: -346.104
where: short stacking energy: -168.989
Base-Backbone interact. energy: -0.235
local terms energy: -168.904430
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -22.497
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: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -492.374201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.374201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.374201 (E_RNA)
where:
Base-Base interactions energy: -335.292
where: short stacking energy: -150.337
Base-Backbone interact. energy: -0.419
local terms energy: -156.663253
where:
bonds (distance) C4'-P energy: -36.560
bonds (distance) P-C4' energy: -26.566
flat angles C4'-P-C4' energy: -37.731
flat angles P-C4'-P energy: -24.215
tors. eta vs tors. theta energy: -31.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -476.782436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.782436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.782436 (E_RNA)
where:
Base-Base interactions energy: -321.868
where: short stacking energy: -149.988
Base-Backbone interact. energy: 0.021
local terms energy: -154.935652
where:
bonds (distance) C4'-P energy: -31.828
bonds (distance) P-C4' energy: -36.431
flat angles C4'-P-C4' energy: -34.207
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -36.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -450.735649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.735649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.735649 (E_RNA)
where:
Base-Base interactions energy: -309.061
where: short stacking energy: -139.469
Base-Backbone interact. energy: -0.159
local terms energy: -141.515714
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -27.573
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -35.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -387.738833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.738833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.738833 (E_RNA)
where:
Base-Base interactions energy: -235.594
where: short stacking energy: -128.938
Base-Backbone interact. energy: -1.023
local terms energy: -151.122019
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -21.465
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: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -319.837065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.837065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.837065 (E_RNA)
where:
Base-Base interactions energy: -203.284
where: short stacking energy: -92.727
Base-Backbone interact. energy: -0.514
local terms energy: -116.038470
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -28.571
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -25.398
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -310.213506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.213506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.213506 (E_RNA)
where:
Base-Base interactions energy: -204.336
where: short stacking energy: -117.715
Base-Backbone interact. energy: -1.097
local terms energy: -104.781109
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -16.866
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: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -302.726874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.726874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.726874 (E_RNA)
where:
Base-Base interactions energy: -192.505
where: short stacking energy: -84.594
Base-Backbone interact. energy: -1.528
local terms energy: -108.693254
where:
bonds (distance) C4'-P energy: -26.982
bonds (distance) P-C4' energy: -34.073
flat angles C4'-P-C4' energy: -31.829
flat angles P-C4'-P energy: -9.740
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: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -156.527154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.527154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.527154 (E_RNA)
where:
Base-Base interactions energy: -58.958
where: short stacking energy: -52.328
Base-Backbone interact. energy: 0.103
local terms energy: -97.672644
where:
bonds (distance) C4'-P energy: -30.991
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -581.176052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.176052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.176052 (E_RNA)
where:
Base-Base interactions energy: -390.094
where: short stacking energy: -190.948
Base-Backbone interact. energy: -0.009
local terms energy: -191.073343
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -35.152
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -55.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -504.730380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.730380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.730380 (E_RNA)
where:
Base-Base interactions energy: -328.258
where: short stacking energy: -164.281
Base-Backbone interact. energy: -0.412
local terms energy: -176.059722
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -38.459
flat angles C4'-P-C4' energy: -38.565
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -45.005
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: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -509.981189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.981189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.981189 (E_RNA)
where:
Base-Base interactions energy: -331.871
where: short stacking energy: -163.825
Base-Backbone interact. energy: 0.623
local terms energy: -178.733031
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -39.124
flat angles C4'-P-C4' energy: -36.862
flat angles P-C4'-P energy: -26.466
tors. eta vs tors. theta energy: -40.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -468.466727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.466727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.466727 (E_RNA)
where:
Base-Base interactions energy: -319.485
where: short stacking energy: -134.193
Base-Backbone interact. energy: -0.506
local terms energy: -148.475559
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -22.783
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: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -435.726109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.726109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.726109 (E_RNA)
where:
Base-Base interactions energy: -287.603
where: short stacking energy: -134.720
Base-Backbone interact. energy: -1.502
local terms energy: -146.621187
where:
bonds (distance) C4'-P energy: -28.394
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -30.439
flat angles P-C4'-P energy: -22.429
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: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -373.236047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.236047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.236047 (E_RNA)
where:
Base-Base interactions energy: -225.479
where: short stacking energy: -124.394
Base-Backbone interact. energy: -0.303
local terms energy: -147.454016
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -33.760
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: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -334.362108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.362108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.362108 (E_RNA)
where:
Base-Base interactions energy: -200.877
where: short stacking energy: -105.499
Base-Backbone interact. energy: -0.584
local terms energy: -132.901042
where:
bonds (distance) C4'-P energy: -28.342
bonds (distance) P-C4' energy: -32.456
flat angles C4'-P-C4' energy: -31.396
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -20.914
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -326.229850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.229850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.229850 (E_RNA)
where:
Base-Base interactions energy: -197.566
where: short stacking energy: -91.815
Base-Backbone interact. energy: -1.583
local terms energy: -127.080003
where:
bonds (distance) C4'-P energy: -29.481
bonds (distance) P-C4' energy: -31.398
flat angles C4'-P-C4' energy: -33.795
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -296.410520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.410520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.410520 (E_RNA)
where:
Base-Base interactions energy: -173.495
where: short stacking energy: -84.163
Base-Backbone interact. energy: -0.438
local terms energy: -122.476782
where:
bonds (distance) C4'-P energy: -34.829
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -12.960
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: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -171.210627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.210627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.210627 (E_RNA)
where:
Base-Base interactions energy: -59.860
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.207
local terms energy: -111.143103
where:
bonds (distance) C4'-P energy: -35.473
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -585.678662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.678662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.678662 (E_RNA)
where:
Base-Base interactions energy: -394.713
where: short stacking energy: -191.713
Base-Backbone interact. energy: 1.366
local terms energy: -192.331114
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -37.657
flat angles C4'-P-C4' energy: -41.018
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -51.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -520.173858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.173858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.173858 (E_RNA)
where:
Base-Base interactions energy: -338.394
where: short stacking energy: -174.520
Base-Backbone interact. energy: -0.145
local terms energy: -181.634866
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -32.656
flat angles C4'-P-C4' energy: -39.778
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -49.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -489.296633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.296633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.296633 (E_RNA)
where:
Base-Base interactions energy: -327.911
where: short stacking energy: -131.866
Base-Backbone interact. energy: 0.740
local terms energy: -162.125884
where:
bonds (distance) C4'-P energy: -33.118
bonds (distance) P-C4' energy: -36.853
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -27.806
tors. eta vs tors. theta energy: -28.383
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: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -480.359183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.359183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.359183 (E_RNA)
where:
Base-Base interactions energy: -316.115
where: short stacking energy: -134.516
Base-Backbone interact. energy: 0.944
local terms energy: -165.187929
where:
bonds (distance) C4'-P energy: -32.970
bonds (distance) P-C4' energy: -40.838
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -34.021
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: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -447.906735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.906735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.906735 (E_RNA)
where:
Base-Base interactions energy: -294.266
where: short stacking energy: -145.620
Base-Backbone interact. energy: -0.121
local terms energy: -153.520128
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -20.691
tors. eta vs tors. theta energy: -43.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -373.884345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.884345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.884345 (E_RNA)
where:
Base-Base interactions energy: -214.941
where: short stacking energy: -107.754
Base-Backbone interact. energy: 1.039
local terms energy: -159.982078
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -40.155
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: -29.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -350.072098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.072098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.072098 (E_RNA)
where:
Base-Base interactions energy: -195.863
where: short stacking energy: -106.692
Base-Backbone interact. energy: -0.254
local terms energy: -153.954132
where:
bonds (distance) C4'-P energy: -36.207
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -32.978
flat angles P-C4'-P energy: -29.942
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -319.659716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.659716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.659716 (E_RNA)
where:
Base-Base interactions energy: -207.930
where: short stacking energy: -107.070
Base-Backbone interact. energy: 3.332
local terms energy: -115.061522
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -28.863
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -300.628835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.628835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.628835 (E_RNA)
where:
Base-Base interactions energy: -175.139
where: short stacking energy: -81.882
Base-Backbone interact. energy: 2.177
local terms energy: -127.666641
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -20.139
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -225.965331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.965331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.965331 (E_RNA)
where:
Base-Base interactions energy: -131.659
where: short stacking energy: -71.062
Base-Backbone interact. energy: -0.263
local terms energy: -94.044041
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -32.342
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -5.196
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: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -568.623972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.623972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.623972 (E_RNA)
where:
Base-Base interactions energy: -379.461
where: short stacking energy: -180.622
Base-Backbone interact. energy: -0.049
local terms energy: -189.114031
where:
bonds (distance) C4'-P energy: -36.627
bonds (distance) P-C4' energy: -33.317
flat angles C4'-P-C4' energy: -40.983
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -50.310
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: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -539.056270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.056270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.056270 (E_RNA)
where:
Base-Base interactions energy: -362.155
where: short stacking energy: -178.343
Base-Backbone interact. energy: 0.148
local terms energy: -177.049320
where:
bonds (distance) C4'-P energy: -33.678
bonds (distance) P-C4' energy: -35.473
flat angles C4'-P-C4' energy: -34.437
flat angles P-C4'-P energy: -21.384
tors. eta vs tors. theta energy: -52.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -503.313017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.313017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.313017 (E_RNA)
where:
Base-Base interactions energy: -346.303
where: short stacking energy: -145.591
Base-Backbone interact. energy: -0.684
local terms energy: -156.325386
where:
bonds (distance) C4'-P energy: -30.073
bonds (distance) P-C4' energy: -32.482
flat angles C4'-P-C4' energy: -36.955
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -38.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -516.673919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.673919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.673919 (E_RNA)
where:
Base-Base interactions energy: -339.043
where: short stacking energy: -150.533
Base-Backbone interact. energy: -2.814
local terms energy: -174.816293
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -34.798
flat angles C4'-P-C4' energy: -37.776
flat angles P-C4'-P energy: -28.061
tors. eta vs tors. theta energy: -41.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -456.200762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.200762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.200762 (E_RNA)
where:
Base-Base interactions energy: -299.444
where: short stacking energy: -145.004
Base-Backbone interact. energy: 1.697
local terms energy: -158.452878
where:
bonds (distance) C4'-P energy: -27.326
bonds (distance) P-C4' energy: -34.685
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -34.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -337.490425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.490425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.490425 (E_RNA)
where:
Base-Base interactions energy: -204.583
where: short stacking energy: -88.845
Base-Backbone interact. energy: -0.460
local terms energy: -132.446586
where:
bonds (distance) C4'-P energy: -36.884
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -28.541
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -330.795376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.795376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.795376 (E_RNA)
where:
Base-Base interactions energy: -191.630
where: short stacking energy: -100.299
Base-Backbone interact. energy: -0.349
local terms energy: -138.816771
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -26.374
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -27.655
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: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -305.507603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.507603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.507603 (E_RNA)
where:
Base-Base interactions energy: -184.658
where: short stacking energy: -93.414
Base-Backbone interact. energy: -0.194
local terms energy: -120.655949
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -292.160966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.160966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.160966 (E_RNA)
where:
Base-Base interactions energy: -174.419
where: short stacking energy: -90.304
Base-Backbone interact. energy: -0.081
local terms energy: -117.661627
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -13.720
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: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -231.514028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.514028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.514028 (E_RNA)
where:
Base-Base interactions energy: -123.208
where: short stacking energy: -75.494
Base-Backbone interact. energy: 0.334
local terms energy: -108.639883
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -10.167
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: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -577.349017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.349017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.349017 (E_RNA)
where:
Base-Base interactions energy: -382.743
where: short stacking energy: -183.820
Base-Backbone interact. energy: 0.414
local terms energy: -195.019396
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -42.730
flat angles P-C4'-P energy: -31.893
tors. eta vs tors. theta energy: -49.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -530.715742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.715742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.715742 (E_RNA)
where:
Base-Base interactions energy: -358.129
where: short stacking energy: -154.821
Base-Backbone interact. energy: -0.364
local terms energy: -172.222943
where:
bonds (distance) C4'-P energy: -31.420
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -32.525
tors. eta vs tors. theta energy: -39.257
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: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -544.807426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.807426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.807426 (E_RNA)
where:
Base-Base interactions energy: -361.112
where: short stacking energy: -177.872
Base-Backbone interact. energy: -0.605
local terms energy: -183.090895
where:
bonds (distance) C4'-P energy: -36.675
bonds (distance) P-C4' energy: -30.989
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -51.838
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: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -505.310827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.310827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.310827 (E_RNA)
where:
Base-Base interactions energy: -336.541
where: short stacking energy: -146.015
Base-Backbone interact. energy: 0.072
local terms energy: -168.841748
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -38.683
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -39.396
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: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -430.624433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.624433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.624433 (E_RNA)
where:
Base-Base interactions energy: -271.855
where: short stacking energy: -142.201
Base-Backbone interact. energy: -0.959
local terms energy: -157.810503
where:
bonds (distance) C4'-P energy: -34.419
bonds (distance) P-C4' energy: -28.668
flat angles C4'-P-C4' energy: -35.402
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -38.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -358.001082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.001082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.001082 (E_RNA)
where:
Base-Base interactions energy: -208.577
where: short stacking energy: -116.366
Base-Backbone interact. energy: -0.722
local terms energy: -148.701583
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -33.105
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -17.245
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: 181
Temperature: 1.200000
Total energy: -341.266093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.266093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.266093 (E_RNA)
where:
Base-Base interactions energy: -200.632
where: short stacking energy: -100.992
Base-Backbone interact. energy: -0.475
local terms energy: -140.158265
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -37.515
flat angles C4'-P-C4' energy: -33.227
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -292.729399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.729399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.729399 (E_RNA)
where:
Base-Base interactions energy: -183.322
where: short stacking energy: -93.776
Base-Backbone interact. energy: -0.939
local terms energy: -108.467880
where:
bonds (distance) C4'-P energy: -30.352
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -296.437778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.437778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.437778 (E_RNA)
where:
Base-Base interactions energy: -196.164
where: short stacking energy: -83.163
Base-Backbone interact. energy: 2.181
local terms energy: -102.455428
where:
bonds (distance) C4'-P energy: -29.212
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -18.437
tors. eta vs tors. theta energy: -6.963
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: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -225.403708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.403708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.403708 (E_RNA)
where:
Base-Base interactions energy: -116.568
where: short stacking energy: -71.540
Base-Backbone interact. energy: -0.733
local terms energy: -108.102333
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -568.010697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.010697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.010697 (E_RNA)
where:
Base-Base interactions energy: -377.406
where: short stacking energy: -177.352
Base-Backbone interact. energy: -0.856
local terms energy: -189.748650
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -39.954
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: -52.156
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: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -540.708343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.708343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.708343 (E_RNA)
where:
Base-Base interactions energy: -363.184
where: short stacking energy: -169.842
Base-Backbone interact. energy: -0.581
local terms energy: -176.943339
where:
bonds (distance) C4'-P energy: -39.339
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -37.715
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -43.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -513.994684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.994684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.994684 (E_RNA)
where:
Base-Base interactions energy: -345.997
where: short stacking energy: -145.299
Base-Backbone interact. energy: -0.771
local terms energy: -167.227018
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -35.973
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -36.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -482.651938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.651938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.651938 (E_RNA)
where:
Base-Base interactions energy: -326.565
where: short stacking energy: -163.420
Base-Backbone interact. energy: -0.110
local terms energy: -155.976408
where:
bonds (distance) C4'-P energy: -28.813
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -46.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -420.337812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.337812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.337812 (E_RNA)
where:
Base-Base interactions energy: -265.880
where: short stacking energy: -136.553
Base-Backbone interact. energy: -0.314
local terms energy: -154.143892
where:
bonds (distance) C4'-P energy: -30.543
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -32.265
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: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -367.830376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.830376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.830376 (E_RNA)
where:
Base-Base interactions energy: -235.189
where: short stacking energy: -121.416
Base-Backbone interact. energy: -0.530
local terms energy: -132.112296
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -19.008
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: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -348.740994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.740994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.740994 (E_RNA)
where:
Base-Base interactions energy: -222.430
where: short stacking energy: -107.618
Base-Backbone interact. energy: -0.332
local terms energy: -125.979229
where:
bonds (distance) C4'-P energy: -31.347
bonds (distance) P-C4' energy: -31.340
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -303.098274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.098274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.098274 (E_RNA)
where:
Base-Base interactions energy: -185.550
where: short stacking energy: -83.729
Base-Backbone interact. energy: -0.087
local terms energy: -117.461920
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -12.360
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: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -291.649925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.649925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.649925 (E_RNA)
where:
Base-Base interactions energy: -172.737
where: short stacking energy: -80.989
Base-Backbone interact. energy: -0.493
local terms energy: -118.419752
where:
bonds (distance) C4'-P energy: -32.153
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -26.622
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -10.198
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: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -231.593912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.593912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.593912 (E_RNA)
where:
Base-Base interactions energy: -126.045
where: short stacking energy: -85.974
Base-Backbone interact. energy: -0.067
local terms energy: -105.482456
where:
bonds (distance) C4'-P energy: -23.997
bonds (distance) P-C4' energy: -26.862
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -10.926
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: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -574.445834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.445834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.445834 (E_RNA)
where:
Base-Base interactions energy: -388.886
where: short stacking energy: -186.799
Base-Backbone interact. energy: -0.634
local terms energy: -184.925839
where:
bonds (distance) C4'-P energy: -33.208
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -37.448
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -51.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -525.736948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.736948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.736948 (E_RNA)
where:
Base-Base interactions energy: -355.937
where: short stacking energy: -151.024
Base-Backbone interact. energy: -1.191
local terms energy: -168.608820
where:
bonds (distance) C4'-P energy: -33.648
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -27.118
tors. eta vs tors. theta energy: -40.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -513.600494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.600494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.600494 (E_RNA)
where:
Base-Base interactions energy: -357.341
where: short stacking energy: -164.563
Base-Backbone interact. energy: -1.394
local terms energy: -154.865300
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -43.132
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: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -456.168009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.168009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.168009 (E_RNA)
where:
Base-Base interactions energy: -294.190
where: short stacking energy: -135.527
Base-Backbone interact. energy: 2.380
local terms energy: -164.357663
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -33.520
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -35.339
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: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -471.442770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.442770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.442770 (E_RNA)
where:
Base-Base interactions energy: -311.645
where: short stacking energy: -144.489
Base-Backbone interact. energy: 0.949
local terms energy: -160.746459
where:
bonds (distance) C4'-P energy: -35.885
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -34.579
flat angles P-C4'-P energy: -19.553
tors. eta vs tors. theta energy: -44.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -358.711318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.711318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.711318 (E_RNA)
where:
Base-Base interactions energy: -227.550
where: short stacking energy: -113.148
Base-Backbone interact. energy: -0.183
local terms energy: -130.978177
where:
bonds (distance) C4'-P energy: -24.557
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -34.970
flat angles P-C4'-P energy: -23.055
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: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -332.158663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.158663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.158663 (E_RNA)
where:
Base-Base interactions energy: -191.069
where: short stacking energy: -96.221
Base-Backbone interact. energy: 0.290
local terms energy: -141.379242
where:
bonds (distance) C4'-P energy: -35.573
bonds (distance) P-C4' energy: -32.320
flat angles C4'-P-C4' energy: -39.365
flat angles P-C4'-P energy: -15.223
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: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -316.145756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.145756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.145756 (E_RNA)
where:
Base-Base interactions energy: -192.800
where: short stacking energy: -94.059
Base-Backbone interact. energy: -1.046
local terms energy: -122.299209
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -33.434
flat angles C4'-P-C4' energy: -25.991
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -13.816
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: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -308.022981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.022981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.022981 (E_RNA)
where:
Base-Base interactions energy: -187.028
where: short stacking energy: -95.722
Base-Backbone interact. energy: -0.440
local terms energy: -120.554384
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -29.563
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -11.793
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: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -268.938912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.938912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.938912 (E_RNA)
where:
Base-Base interactions energy: -154.328
where: short stacking energy: -84.781
Base-Backbone interact. energy: -0.583
local terms energy: -114.027363
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -586.363799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.363799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.363799 (E_RNA)
where:
Base-Base interactions energy: -387.957
where: short stacking energy: -191.260
Base-Backbone interact. energy: -1.785
local terms energy: -196.622229
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -40.753
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -53.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -535.667445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.667445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.667445 (E_RNA)
where:
Base-Base interactions energy: -364.650
where: short stacking energy: -162.783
Base-Backbone interact. energy: -1.047
local terms energy: -169.970398
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -40.478
flat angles P-C4'-P energy: -19.214
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: 184
Temperature: 1.000000
Total energy: -498.485864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.485864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.485864 (E_RNA)
where:
Base-Base interactions energy: -335.308
where: short stacking energy: -164.883
Base-Backbone interact. energy: 5.335
local terms energy: -168.512957
where:
bonds (distance) C4'-P energy: -33.193
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -38.630
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -42.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -484.599081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.599081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.599081 (E_RNA)
where:
Base-Base interactions energy: -329.954
where: short stacking energy: -142.768
Base-Backbone interact. energy: -0.908
local terms energy: -153.736086
where:
bonds (distance) C4'-P energy: -27.948
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -35.935
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -32.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -477.393132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.393132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.393132 (E_RNA)
where:
Base-Base interactions energy: -309.900
where: short stacking energy: -144.859
Base-Backbone interact. energy: 0.561
local terms energy: -168.054315
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -41.036
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -36.231
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: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -335.198175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.198175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.198175 (E_RNA)
where:
Base-Base interactions energy: -210.595
where: short stacking energy: -110.265
Base-Backbone interact. energy: -0.359
local terms energy: -124.243524
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -32.614
flat angles C4'-P-C4' energy: -29.143
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -330.568614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.568614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.568614 (E_RNA)
where:
Base-Base interactions energy: -199.258
where: short stacking energy: -111.856
Base-Backbone interact. energy: 0.755
local terms energy: -132.065974
where:
bonds (distance) C4'-P energy: -31.880
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -23.436
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: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -302.548883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.548883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.548883 (E_RNA)
where:
Base-Base interactions energy: -188.743
where: short stacking energy: -95.212
Base-Backbone interact. energy: -0.043
local terms energy: -113.763372
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -26.083
flat angles C4'-P-C4' energy: -31.318
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -280.989871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.989871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.989871 (E_RNA)
where:
Base-Base interactions energy: -151.764
where: short stacking energy: -82.098
Base-Backbone interact. energy: -1.246
local terms energy: -127.979945
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -229.719977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.719977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.719977 (E_RNA)
where:
Base-Base interactions energy: -123.275
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.416
local terms energy: -106.028390
where:
bonds (distance) C4'-P energy: -27.385
bonds (distance) P-C4' energy: -35.561
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -583.335406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.335406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.335406 (E_RNA)
where:
Base-Base interactions energy: -388.211
where: short stacking energy: -188.106
Base-Backbone interact. energy: -1.170
local terms energy: -193.954260
where:
bonds (distance) C4'-P energy: -30.720
bonds (distance) P-C4' energy: -38.442
flat angles C4'-P-C4' energy: -43.893
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -53.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -533.114777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.114777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.114777 (E_RNA)
where:
Base-Base interactions energy: -350.086
where: short stacking energy: -161.335
Base-Backbone interact. energy: -0.745
local terms energy: -182.283840
where:
bonds (distance) C4'-P energy: -36.939
bonds (distance) P-C4' energy: -34.238
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -32.147
tors. eta vs tors. theta energy: -41.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -482.999154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.999154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.999154 (E_RNA)
where:
Base-Base interactions energy: -325.627
where: short stacking energy: -166.345
Base-Backbone interact. energy: -0.564
local terms energy: -156.808348
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -33.518
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -21.612
tors. eta vs tors. theta energy: -37.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -482.125256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.125256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.125256 (E_RNA)
where:
Base-Base interactions energy: -326.442
where: short stacking energy: -159.751
Base-Backbone interact. energy: 0.350
local terms energy: -156.032845
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -39.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -481.778732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.778732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.778732 (E_RNA)
where:
Base-Base interactions energy: -324.947
where: short stacking energy: -137.581
Base-Backbone interact. energy: -1.069
local terms energy: -155.762778
where:
bonds (distance) C4'-P energy: -29.518
bonds (distance) P-C4' energy: -30.760
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -35.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -357.322942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.322942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.322942 (E_RNA)
where:
Base-Base interactions energy: -221.133
where: short stacking energy: -105.326
Base-Backbone interact. energy: -0.959
local terms energy: -135.231377
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -36.183
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -328.826570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.826570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.826570 (E_RNA)
where:
Base-Base interactions energy: -201.080
where: short stacking energy: -98.983
Base-Backbone interact. energy: 0.664
local terms energy: -128.411169
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -37.622
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -302.014123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.014123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.014123 (E_RNA)
where:
Base-Base interactions energy: -180.465
where: short stacking energy: -89.231
Base-Backbone interact. energy: 0.577
local terms energy: -122.126250
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -34.516
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -351.819726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.819726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.819726 (E_RNA)
where:
Base-Base interactions energy: -218.416
where: short stacking energy: -115.082
Base-Backbone interact. energy: 0.624
local terms energy: -134.027936
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -27.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -230.322892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.322892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.322892 (E_RNA)
where:
Base-Base interactions energy: -122.142
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.702
local terms energy: -107.478578
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -29.873
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -573.175729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.175729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.175729 (E_RNA)
where:
Base-Base interactions energy: -388.200
where: short stacking energy: -191.556
Base-Backbone interact. energy: -0.686
local terms energy: -184.290163
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -39.935
flat angles P-C4'-P energy: -29.690
tors. eta vs tors. theta energy: -52.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -528.935364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.935364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.935364 (E_RNA)
where:
Base-Base interactions energy: -359.466
where: short stacking energy: -157.462
Base-Backbone interact. energy: -0.245
local terms energy: -169.223977
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -35.355
flat angles C4'-P-C4' energy: -35.210
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -34.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -517.437523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.437523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.437523 (E_RNA)
where:
Base-Base interactions energy: -353.544
where: short stacking energy: -166.168
Base-Backbone interact. energy: -0.438
local terms energy: -163.454937
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -46.581
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: 186
Temperature: 1.050000
Total energy: -511.789553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.789553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.789553 (E_RNA)
where:
Base-Base interactions energy: -336.883
where: short stacking energy: -170.394
Base-Backbone interact. energy: -0.418
local terms energy: -174.489026
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -37.082
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -49.834
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: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -478.594750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.594750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.594750 (E_RNA)
where:
Base-Base interactions energy: -316.172
where: short stacking energy: -149.970
Base-Backbone interact. energy: 0.323
local terms energy: -162.745832
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -39.349
flat angles P-C4'-P energy: -25.759
tors. eta vs tors. theta energy: -38.242
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: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -342.913600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.913600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.913600 (E_RNA)
where:
Base-Base interactions energy: -214.602
where: short stacking energy: -107.248
Base-Backbone interact. energy: 3.870
local terms energy: -132.181630
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -22.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -327.685576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.685576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.685576 (E_RNA)
where:
Base-Base interactions energy: -207.486
where: short stacking energy: -110.024
Base-Backbone interact. energy: -0.739
local terms energy: -119.460602
where:
bonds (distance) C4'-P energy: -26.243
bonds (distance) P-C4' energy: -28.898
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -22.146
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: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -316.732501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.732501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.732501 (E_RNA)
where:
Base-Base interactions energy: -184.158
where: short stacking energy: -92.863
Base-Backbone interact. energy: -0.805
local terms energy: -131.769996
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -29.726
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -327.132053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.132053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.132053 (E_RNA)
where:
Base-Base interactions energy: -217.679
where: short stacking energy: -104.764
Base-Backbone interact. energy: -1.109
local terms energy: -108.343990
where:
bonds (distance) C4'-P energy: -27.149
bonds (distance) P-C4' energy: -24.804
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -221.793594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.793594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.793594 (E_RNA)
where:
Base-Base interactions energy: -126.184
where: short stacking energy: -64.147
Base-Backbone interact. energy: 1.929
local terms energy: -97.538829
where:
bonds (distance) C4'-P energy: -33.928
bonds (distance) P-C4' energy: -28.166
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -12.587
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: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -585.293438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.293438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.293438 (E_RNA)
where:
Base-Base interactions energy: -394.600
where: short stacking energy: -186.258
Base-Backbone interact. energy: -0.266
local terms energy: -190.427734
where:
bonds (distance) C4'-P energy: -31.097
bonds (distance) P-C4' energy: -37.701
flat angles C4'-P-C4' energy: -41.690
flat angles P-C4'-P energy: -24.517
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: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -528.937161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.937161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.937161 (E_RNA)
where:
Base-Base interactions energy: -353.959
where: short stacking energy: -146.733
Base-Backbone interact. energy: -0.610
local terms energy: -174.368172
where:
bonds (distance) C4'-P energy: -35.392
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -35.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -504.271505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.271505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.271505 (E_RNA)
where:
Base-Base interactions energy: -334.429
where: short stacking energy: -156.759
Base-Backbone interact. energy: -0.919
local terms energy: -168.924084
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -38.492
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -45.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -485.001420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.001420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.001420 (E_RNA)
where:
Base-Base interactions energy: -307.355
where: short stacking energy: -159.310
Base-Backbone interact. energy: -0.864
local terms energy: -176.782137
where:
bonds (distance) C4'-P energy: -31.075
bonds (distance) P-C4' energy: -34.803
flat angles C4'-P-C4' energy: -42.062
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -39.684
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: 187
Temperature: 1.100000
Total energy: -497.902570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.902570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.902570 (E_RNA)
where:
Base-Base interactions energy: -330.527
where: short stacking energy: -165.694
Base-Backbone interact. energy: -0.423
local terms energy: -166.952177
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -34.997
flat angles C4'-P-C4' energy: -34.569
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -47.544
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: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -342.639265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.639265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.639265 (E_RNA)
where:
Base-Base interactions energy: -205.606
where: short stacking energy: -107.304
Base-Backbone interact. energy: -0.460
local terms energy: -136.573290
where:
bonds (distance) C4'-P energy: -37.335
bonds (distance) P-C4' energy: -25.810
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -24.808
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: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -333.435811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.435811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.435811 (E_RNA)
where:
Base-Base interactions energy: -201.624
where: short stacking energy: -110.506
Base-Backbone interact. energy: -0.567
local terms energy: -131.244913
where:
bonds (distance) C4'-P energy: -27.707
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -22.307
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: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -305.598533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.598533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.598533 (E_RNA)
where:
Base-Base interactions energy: -193.880
where: short stacking energy: -93.905
Base-Backbone interact. energy: -0.779
local terms energy: -110.939617
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -300.674973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.674973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.674973 (E_RNA)
where:
Base-Base interactions energy: -182.802
where: short stacking energy: -94.282
Base-Backbone interact. energy: -0.062
local terms energy: -117.811142
where:
bonds (distance) C4'-P energy: -31.705
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -31.140
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -222.434930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.434930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.434930 (E_RNA)
where:
Base-Base interactions energy: -119.614
where: short stacking energy: -73.590
Base-Backbone interact. energy: 0.096
local terms energy: -102.916821
where:
bonds (distance) C4'-P energy: -29.052
bonds (distance) P-C4' energy: -27.099
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -11.958
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: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -580.269407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.269407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.269407 (E_RNA)
where:
Base-Base interactions energy: -389.783
where: short stacking energy: -190.893
Base-Backbone interact. energy: -0.494
local terms energy: -189.992120
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -36.344
flat angles C4'-P-C4' energy: -33.255
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -52.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -517.506130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.506130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.506130 (E_RNA)
where:
Base-Base interactions energy: -353.958
where: short stacking energy: -153.767
Base-Backbone interact. energy: -1.982
local terms energy: -161.566324
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -28.224
flat angles P-C4'-P energy: -26.160
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: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -519.577104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.577104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.577104 (E_RNA)
where:
Base-Base interactions energy: -352.560
where: short stacking energy: -169.903
Base-Backbone interact. energy: -1.831
local terms energy: -165.186355
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -48.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -498.368834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.368834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.368834 (E_RNA)
where:
Base-Base interactions energy: -327.322
where: short stacking energy: -155.974
Base-Backbone interact. energy: -0.485
local terms energy: -170.561977
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -33.050
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -486.467796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.467796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.467796 (E_RNA)
where:
Base-Base interactions energy: -310.593
where: short stacking energy: -155.950
Base-Backbone interact. energy: -0.818
local terms energy: -175.056785
where:
bonds (distance) C4'-P energy: -28.973
bonds (distance) P-C4' energy: -42.669
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -46.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -373.593341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.593341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.593341 (E_RNA)
where:
Base-Base interactions energy: -228.883
where: short stacking energy: -120.832
Base-Backbone interact. energy: 3.255
local terms energy: -147.965416
where:
bonds (distance) C4'-P energy: -34.251
bonds (distance) P-C4' energy: -34.015
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -313.056691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.056691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.056691 (E_RNA)
where:
Base-Base interactions energy: -184.996
where: short stacking energy: -97.764
Base-Backbone interact. energy: -0.557
local terms energy: -127.503450
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -19.675
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: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -321.376166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.376166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.376166 (E_RNA)
where:
Base-Base interactions energy: -210.249
where: short stacking energy: -120.065
Base-Backbone interact. energy: -0.234
local terms energy: -110.893680
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -28.952
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: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -302.797041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.797041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.797041 (E_RNA)
where:
Base-Base interactions energy: -196.922
where: short stacking energy: -102.626
Base-Backbone interact. energy: 0.658
local terms energy: -106.533546
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -32.718
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -8.682
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: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -220.773069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.773069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.773069 (E_RNA)
where:
Base-Base interactions energy: -106.890
where: short stacking energy: -64.108
Base-Backbone interact. energy: 2.526
local terms energy: -116.409780
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -6.309
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: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -566.942704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.942704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.942704 (E_RNA)
where:
Base-Base interactions energy: -379.161
where: short stacking energy: -178.313
Base-Backbone interact. energy: -0.184
local terms energy: -187.598321
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -38.178
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -51.362
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: 189
Temperature: 0.950000
Total energy: -524.833359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.833359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.833359 (E_RNA)
where:
Base-Base interactions energy: -345.098
where: short stacking energy: -170.283
Base-Backbone interact. energy: -0.417
local terms energy: -179.318221
where:
bonds (distance) C4'-P energy: -35.407
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -38.629
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -49.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -528.086890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.086890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.086890 (E_RNA)
where:
Base-Base interactions energy: -360.270
where: short stacking energy: -170.763
Base-Backbone interact. energy: 2.340
local terms energy: -170.156629
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -31.915
flat angles C4'-P-C4' energy: -36.844
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -47.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -484.000547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.000547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.000547 (E_RNA)
where:
Base-Base interactions energy: -318.464
where: short stacking energy: -155.662
Base-Backbone interact. energy: -0.501
local terms energy: -165.035555
where:
bonds (distance) C4'-P energy: -32.344
bonds (distance) P-C4' energy: -33.356
flat angles C4'-P-C4' energy: -33.243
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -43.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -469.815602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.815602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.815602 (E_RNA)
where:
Base-Base interactions energy: -314.841
where: short stacking energy: -156.132
Base-Backbone interact. energy: -1.078
local terms energy: -153.896678
where:
bonds (distance) C4'-P energy: -27.958
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -21.378
tors. eta vs tors. theta energy: -42.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -370.190724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.190724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.190724 (E_RNA)
where:
Base-Base interactions energy: -219.651
where: short stacking energy: -117.705
Base-Backbone interact. energy: -1.338
local terms energy: -149.201292
where:
bonds (distance) C4'-P energy: -33.396
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -34.339
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -26.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -337.633360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.633360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.633360 (E_RNA)
where:
Base-Base interactions energy: -219.683
where: short stacking energy: -113.311
Base-Backbone interact. energy: -0.912
local terms energy: -117.037820
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -26.899
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -20.206
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: 189
Temperature: 1.250000
Total energy: -312.234429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.234429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.234429 (E_RNA)
where:
Base-Base interactions energy: -176.004
where: short stacking energy: -88.715
Base-Backbone interact. energy: -0.304
local terms energy: -135.926337
where:
bonds (distance) C4'-P energy: -28.962
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -21.471
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: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -312.646889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.646889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.646889 (E_RNA)
where:
Base-Base interactions energy: -185.388
where: short stacking energy: -95.990
Base-Backbone interact. energy: 1.291
local terms energy: -128.549486
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -32.795
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -235.144767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.144767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.144767 (E_RNA)
where:
Base-Base interactions energy: -129.201
where: short stacking energy: -85.102
Base-Backbone interact. energy: -0.218
local terms energy: -105.725438
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -11.863
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: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -562.961209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.961209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.961209 (E_RNA)
where:
Base-Base interactions energy: -381.063
where: short stacking energy: -179.206
Base-Backbone interact. energy: 0.523
local terms energy: -182.421156
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -38.015
flat angles C4'-P-C4' energy: -33.043
flat angles P-C4'-P energy: -28.501
tors. eta vs tors. theta energy: -53.754
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: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -514.013475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.013475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.013475 (E_RNA)
where:
Base-Base interactions energy: -338.524
where: short stacking energy: -159.804
Base-Backbone interact. energy: -1.008
local terms energy: -174.481113
where:
bonds (distance) C4'-P energy: -35.333
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -34.861
flat angles P-C4'-P energy: -26.771
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: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -509.768730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.768730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.768730 (E_RNA)
where:
Base-Base interactions energy: -344.121
where: short stacking energy: -149.243
Base-Backbone interact. energy: -0.436
local terms energy: -165.212120
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -38.379
flat angles P-C4'-P energy: -26.741
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: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -487.787580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.787580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.787580 (E_RNA)
where:
Base-Base interactions energy: -331.727
where: short stacking energy: -154.301
Base-Backbone interact. energy: 1.676
local terms energy: -157.737009
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -39.280
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -38.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -485.066219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.066219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.066219 (E_RNA)
where:
Base-Base interactions energy: -305.791
where: short stacking energy: -158.755
Base-Backbone interact. energy: -0.136
local terms energy: -179.139055
where:
bonds (distance) C4'-P energy: -38.054
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -25.631
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: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -344.061760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.061760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.061760 (E_RNA)
where:
Base-Base interactions energy: -209.995
where: short stacking energy: -116.558
Base-Backbone interact. energy: -0.275
local terms energy: -133.791722
where:
bonds (distance) C4'-P energy: -26.020
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -32.119
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -351.897716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.897716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.897716 (E_RNA)
where:
Base-Base interactions energy: -214.219
where: short stacking energy: -113.153
Base-Backbone interact. energy: -0.452
local terms energy: -137.227303
where:
bonds (distance) C4'-P energy: -31.077
bonds (distance) P-C4' energy: -32.746
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -24.533
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: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -330.487840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.487840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.487840 (E_RNA)
where:
Base-Base interactions energy: -209.983
where: short stacking energy: -97.115
Base-Backbone interact. energy: -0.252
local terms energy: -120.253134
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -305.148150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.148150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.148150 (E_RNA)
where:
Base-Base interactions energy: -185.445
where: short stacking energy: -88.084
Base-Backbone interact. energy: 5.233
local terms energy: -124.935804
where:
bonds (distance) C4'-P energy: -34.188
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -226.916493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.916493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.916493 (E_RNA)
where:
Base-Base interactions energy: -102.366
where: short stacking energy: -61.564
Base-Backbone interact. energy: 1.067
local terms energy: -125.617802
where:
bonds (distance) C4'-P energy: -30.508
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -35.189
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -6.100
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: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -576.301973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.301973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.301973 (E_RNA)
where:
Base-Base interactions energy: -384.599
where: short stacking energy: -184.366
Base-Backbone interact. energy: -0.190
local terms energy: -191.513654
where:
bonds (distance) C4'-P energy: -33.616
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -37.873
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -54.135
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: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -527.878567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.878567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.878567 (E_RNA)
where:
Base-Base interactions energy: -359.636
where: short stacking energy: -159.096
Base-Backbone interact. energy: -0.670
local terms energy: -167.572862
where:
bonds (distance) C4'-P energy: -30.443
bonds (distance) P-C4' energy: -35.117
flat angles C4'-P-C4' energy: -42.844
flat angles P-C4'-P energy: -20.668
tors. eta vs tors. theta energy: -38.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -503.709795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.709795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.709795 (E_RNA)
where:
Base-Base interactions energy: -328.346
where: short stacking energy: -155.297
Base-Backbone interact. energy: -0.487
local terms energy: -174.877566
where:
bonds (distance) C4'-P energy: -38.256
bonds (distance) P-C4' energy: -38.539
flat angles C4'-P-C4' energy: -35.120
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -45.409
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: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -522.368321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.368321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.368321 (E_RNA)
where:
Base-Base interactions energy: -350.045
where: short stacking energy: -164.961
Base-Backbone interact. energy: -0.094
local terms energy: -172.228964
where:
bonds (distance) C4'-P energy: -30.876
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -49.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -467.362141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.362141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.362141 (E_RNA)
where:
Base-Base interactions energy: -313.502
where: short stacking energy: -162.649
Base-Backbone interact. energy: -0.334
local terms energy: -153.526038
where:
bonds (distance) C4'-P energy: -25.235
bonds (distance) P-C4' energy: -30.520
flat angles C4'-P-C4' energy: -34.208
flat angles P-C4'-P energy: -21.118
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: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -352.471680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.471680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.471680 (E_RNA)
where:
Base-Base interactions energy: -211.505
where: short stacking energy: -118.663
Base-Backbone interact. energy: 0.470
local terms energy: -141.436869
where:
bonds (distance) C4'-P energy: -30.587
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -327.825924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.825924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.825924 (E_RNA)
where:
Base-Base interactions energy: -206.364
where: short stacking energy: -101.836
Base-Backbone interact. energy: 2.218
local terms energy: -123.679871
where:
bonds (distance) C4'-P energy: -29.404
bonds (distance) P-C4' energy: -30.456
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -16.384
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: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -292.637799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.637799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.637799 (E_RNA)
where:
Base-Base interactions energy: -175.671
where: short stacking energy: -89.572
Base-Backbone interact. energy: -0.468
local terms energy: -116.498472
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -36.924
flat angles C4'-P-C4' energy: -28.415
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -11.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -305.635860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.635860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.635860 (E_RNA)
where:
Base-Base interactions energy: -175.326
where: short stacking energy: -90.729
Base-Backbone interact. energy: -0.188
local terms energy: -130.122484
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -40.982
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -12.907
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: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -219.536852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.536852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.536852 (E_RNA)
where:
Base-Base interactions energy: -114.017
where: short stacking energy: -62.941
Base-Backbone interact. energy: -0.281
local terms energy: -105.239643
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -28.318
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -576.848262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.848262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.848262 (E_RNA)
where:
Base-Base interactions energy: -389.775
where: short stacking energy: -181.842
Base-Backbone interact. energy: -0.084
local terms energy: -186.989523
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -35.925
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -30.005
tors. eta vs tors. theta energy: -53.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -500.994109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.994109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.994109 (E_RNA)
where:
Base-Base interactions energy: -343.696
where: short stacking energy: -142.810
Base-Backbone interact. energy: 2.141
local terms energy: -159.438507
where:
bonds (distance) C4'-P energy: -28.020
bonds (distance) P-C4' energy: -35.940
flat angles C4'-P-C4' energy: -35.238
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: -36.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -536.016545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.016545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.016545 (E_RNA)
where:
Base-Base interactions energy: -356.885
where: short stacking energy: -172.344
Base-Backbone interact. energy: -0.352
local terms energy: -178.779504
where:
bonds (distance) C4'-P energy: -38.882
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -529.199622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.199622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.199622 (E_RNA)
where:
Base-Base interactions energy: -345.646
where: short stacking energy: -166.976
Base-Backbone interact. energy: -1.702
local terms energy: -181.852071
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -38.744
flat angles C4'-P-C4' energy: -37.636
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -455.353731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.353731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.353731 (E_RNA)
where:
Base-Base interactions energy: -300.701
where: short stacking energy: -140.212
Base-Backbone interact. energy: -0.287
local terms energy: -154.365945
where:
bonds (distance) C4'-P energy: -32.559
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -33.221
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -34.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -377.335032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.335032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.335032 (E_RNA)
where:
Base-Base interactions energy: -218.065
where: short stacking energy: -113.119
Base-Backbone interact. energy: -0.003
local terms energy: -159.266667
where:
bonds (distance) C4'-P energy: -32.097
bonds (distance) P-C4' energy: -34.997
flat angles C4'-P-C4' energy: -38.033
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -30.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -317.760971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.760971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.760971 (E_RNA)
where:
Base-Base interactions energy: -185.745
where: short stacking energy: -93.009
Base-Backbone interact. energy: -0.556
local terms energy: -131.459314
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -347.426075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.426075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.426075 (E_RNA)
where:
Base-Base interactions energy: -208.953
where: short stacking energy: -100.268
Base-Backbone interact. energy: -0.199
local terms energy: -138.274364
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -24.463
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -300.751131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.751131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.751131 (E_RNA)
where:
Base-Base interactions energy: -166.518
where: short stacking energy: -84.129
Base-Backbone interact. energy: -0.193
local terms energy: -134.040092
where:
bonds (distance) C4'-P energy: -32.301
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -216.563375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.563375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.563375 (E_RNA)
where:
Base-Base interactions energy: -106.778
where: short stacking energy: -60.330
Base-Backbone interact. energy: -0.351
local terms energy: -109.434761
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: 2.974
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: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -576.154378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.154378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.154378 (E_RNA)
where:
Base-Base interactions energy: -389.551
where: short stacking energy: -187.991
Base-Backbone interact. energy: -0.111
local terms energy: -186.492823
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -33.009
flat angles C4'-P-C4' energy: -42.621
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -49.393
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: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -518.629934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.629934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.629934 (E_RNA)
where:
Base-Base interactions energy: -357.947
where: short stacking energy: -169.102
Base-Backbone interact. energy: -0.231
local terms energy: -160.452401
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -41.150
flat angles P-C4'-P energy: -21.365
tors. eta vs tors. theta energy: -39.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -479.374686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.374686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.374686 (E_RNA)
where:
Base-Base interactions energy: -336.401
where: short stacking energy: -150.391
Base-Backbone interact. energy: -0.508
local terms energy: -142.465865
where:
bonds (distance) C4'-P energy: -23.469
bonds (distance) P-C4' energy: -30.236
flat angles C4'-P-C4' energy: -26.695
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -35.648
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: 193
Temperature: 1.050000
Total energy: -525.706511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.706511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.706511 (E_RNA)
where:
Base-Base interactions energy: -360.655
where: short stacking energy: -179.763
Base-Backbone interact. energy: -0.552
local terms energy: -164.500171
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -52.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -482.425620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.425620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.425620 (E_RNA)
where:
Base-Base interactions energy: -323.250
where: short stacking energy: -155.103
Base-Backbone interact. energy: 0.552
local terms energy: -159.727662
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -31.673
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -46.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -371.187783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.187783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.187783 (E_RNA)
where:
Base-Base interactions energy: -222.562
where: short stacking energy: -116.794
Base-Backbone interact. energy: 1.469
local terms energy: -150.094848
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -327.066527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.066527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.066527 (E_RNA)
where:
Base-Base interactions energy: -208.449
where: short stacking energy: -113.061
Base-Backbone interact. energy: -0.620
local terms energy: -117.997015
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -21.773
tors. eta vs tors. theta energy: -15.697
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: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -337.841627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.841627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.841627 (E_RNA)
where:
Base-Base interactions energy: -189.988
where: short stacking energy: -104.841
Base-Backbone interact. energy: -0.679
local terms energy: -147.174613
where:
bonds (distance) C4'-P energy: -30.626
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -31.040
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -29.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -292.477358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.477358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.477358 (E_RNA)
where:
Base-Base interactions energy: -180.136
where: short stacking energy: -81.767
Base-Backbone interact. energy: -2.033
local terms energy: -110.308268
where:
bonds (distance) C4'-P energy: -35.750
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -242.319926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.319926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.319926 (E_RNA)
where:
Base-Base interactions energy: -134.801
where: short stacking energy: -61.491
Base-Backbone interact. energy: -0.669
local terms energy: -106.850356
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -586.598548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.598548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.598548 (E_RNA)
where:
Base-Base interactions energy: -387.635
where: short stacking energy: -190.482
Base-Backbone interact. energy: -0.414
local terms energy: -198.549357
where:
bonds (distance) C4'-P energy: -36.440
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -38.776
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -52.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -543.344201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.344201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.344201 (E_RNA)
where:
Base-Base interactions energy: -359.580
where: short stacking energy: -182.747
Base-Backbone interact. energy: -0.547
local terms energy: -183.217815
where:
bonds (distance) C4'-P energy: -31.340
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -51.868
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: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -508.684495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.684495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.684495 (E_RNA)
where:
Base-Base interactions energy: -349.204
where: short stacking energy: -150.312
Base-Backbone interact. energy: -0.900
local terms energy: -158.580877
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -35.506
flat angles P-C4'-P energy: -24.327
tors. eta vs tors. theta energy: -38.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -493.516149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.516149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.516149 (E_RNA)
where:
Base-Base interactions energy: -336.897
where: short stacking energy: -162.456
Base-Backbone interact. energy: -0.301
local terms energy: -156.317994
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -25.279
tors. eta vs tors. theta energy: -45.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -502.036302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.036302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.036302 (E_RNA)
where:
Base-Base interactions energy: -328.910
where: short stacking energy: -161.828
Base-Backbone interact. energy: -0.134
local terms energy: -172.992343
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -30.390
flat angles C4'-P-C4' energy: -39.105
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -47.768
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: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -361.729687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.729687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.729687 (E_RNA)
where:
Base-Base interactions energy: -226.909
where: short stacking energy: -119.040
Base-Backbone interact. energy: -0.168
local terms energy: -134.653087
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -34.883
flat angles P-C4'-P energy: -18.032
tors. eta vs tors. theta energy: -23.676
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: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -327.819814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.819814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.819814 (E_RNA)
where:
Base-Base interactions energy: -204.288
where: short stacking energy: -116.645
Base-Backbone interact. energy: -0.770
local terms energy: -122.762518
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -21.712
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: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -314.078368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.078368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.078368 (E_RNA)
where:
Base-Base interactions energy: -196.103
where: short stacking energy: -98.539
Base-Backbone interact. energy: -0.067
local terms energy: -117.909109
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -30.116
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -297.603243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.603243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.603243 (E_RNA)
where:
Base-Base interactions energy: -176.586
where: short stacking energy: -78.973
Base-Backbone interact. energy: 0.062
local terms energy: -121.079074
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -32.155
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -19.585
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -226.943147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.943147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.943147 (E_RNA)
where:
Base-Base interactions energy: -107.024
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.528
local terms energy: -119.391571
where:
bonds (distance) C4'-P energy: -34.197
bonds (distance) P-C4' energy: -34.322
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -10.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -588.321439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.321439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.321439 (E_RNA)
where:
Base-Base interactions energy: -398.689
where: short stacking energy: -188.481
Base-Backbone interact. energy: -0.157
local terms energy: -189.476071
where:
bonds (distance) C4'-P energy: -37.189
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -40.306
flat angles P-C4'-P energy: -29.608
tors. eta vs tors. theta energy: -50.435
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: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -559.564643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.564643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.564643 (E_RNA)
where:
Base-Base interactions energy: -374.451
where: short stacking energy: -183.085
Base-Backbone interact. energy: -0.269
local terms energy: -184.844858
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -39.421
flat angles C4'-P-C4' energy: -37.413
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: -48.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -491.292525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.292525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.292525 (E_RNA)
where:
Base-Base interactions energy: -331.444
where: short stacking energy: -147.689
Base-Backbone interact. energy: 2.853
local terms energy: -162.701134
where:
bonds (distance) C4'-P energy: -38.485
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -34.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -508.725279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.725279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.725279 (E_RNA)
where:
Base-Base interactions energy: -337.959
where: short stacking energy: -170.213
Base-Backbone interact. energy: -0.057
local terms energy: -170.708925
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -34.455
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -46.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -475.664684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.664684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.664684 (E_RNA)
where:
Base-Base interactions energy: -316.260
where: short stacking energy: -151.176
Base-Backbone interact. energy: -0.528
local terms energy: -158.876347
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -33.617
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -40.966
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: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -338.157171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.157171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.157171 (E_RNA)
where:
Base-Base interactions energy: -198.600
where: short stacking energy: -105.286
Base-Backbone interact. energy: -0.540
local terms energy: -139.016684
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -36.527
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -350.834648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.834648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.834648 (E_RNA)
where:
Base-Base interactions energy: -207.673
where: short stacking energy: -101.129
Base-Backbone interact. energy: -0.658
local terms energy: -142.503464
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -32.600
flat angles C4'-P-C4' energy: -30.999
flat angles P-C4'-P energy: -27.497
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -310.154245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.154245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.154245 (E_RNA)
where:
Base-Base interactions energy: -194.722
where: short stacking energy: -95.154
Base-Backbone interact. energy: -0.554
local terms energy: -114.877717
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -28.060
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -9.203
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: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -286.647595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.647595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.647595 (E_RNA)
where:
Base-Base interactions energy: -170.694
where: short stacking energy: -85.575
Base-Backbone interact. energy: -0.527
local terms energy: -115.426082
where:
bonds (distance) C4'-P energy: -33.618
bonds (distance) P-C4' energy: -29.373
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -4.767
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: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -227.493068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.493068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.493068 (E_RNA)
where:
Base-Base interactions energy: -122.680
where: short stacking energy: -60.494
Base-Backbone interact. energy: -1.806
local terms energy: -103.007727
where:
bonds (distance) C4'-P energy: -25.888
bonds (distance) P-C4' energy: -30.427
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -0.401
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: 196
Temperature: 0.900000
Total energy: -544.039070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.039070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.039070 (E_RNA)
where:
Base-Base interactions energy: -360.952
where: short stacking energy: -169.182
Base-Backbone interact. energy: -0.291
local terms energy: -182.795984
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -36.446
flat angles C4'-P-C4' energy: -40.010
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -47.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -576.331936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.331936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.331936 (E_RNA)
where:
Base-Base interactions energy: -380.925
where: short stacking energy: -186.217
Base-Backbone interact. energy: 0.221
local terms energy: -195.628266
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -31.248
tors. eta vs tors. theta energy: -51.253
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: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -504.049069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.049069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.049069 (E_RNA)
where:
Base-Base interactions energy: -339.921
where: short stacking energy: -150.103
Base-Backbone interact. energy: 0.416
local terms energy: -164.543975
where:
bonds (distance) C4'-P energy: -33.756
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -33.688
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -37.651
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: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -504.887312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.887312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.887312 (E_RNA)
where:
Base-Base interactions energy: -331.723
where: short stacking energy: -167.106
Base-Backbone interact. energy: -0.683
local terms energy: -172.481970
where:
bonds (distance) C4'-P energy: -30.165
bonds (distance) P-C4' energy: -32.984
flat angles C4'-P-C4' energy: -37.460
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -50.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -488.776387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.776387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.776387 (E_RNA)
where:
Base-Base interactions energy: -313.625
where: short stacking energy: -167.611
Base-Backbone interact. energy: -0.094
local terms energy: -175.057627
where:
bonds (distance) C4'-P energy: -32.417
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -50.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -365.696025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.696025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.696025 (E_RNA)
where:
Base-Base interactions energy: -219.188
where: short stacking energy: -121.924
Base-Backbone interact. energy: -1.238
local terms energy: -145.269467
where:
bonds (distance) C4'-P energy: -28.803
bonds (distance) P-C4' energy: -27.747
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -27.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -315.116347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.116347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.116347 (E_RNA)
where:
Base-Base interactions energy: -194.351
where: short stacking energy: -86.699
Base-Backbone interact. energy: -0.829
local terms energy: -119.936409
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -22.776
tors. eta vs tors. theta energy: -6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -328.246467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.246467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.246467 (E_RNA)
where:
Base-Base interactions energy: -202.762
where: short stacking energy: -95.222
Base-Backbone interact. energy: 0.604
local terms energy: -126.088620
where:
bonds (distance) C4'-P energy: -30.087
bonds (distance) P-C4' energy: -28.151
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -17.259
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -284.891768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.891768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.891768 (E_RNA)
where:
Base-Base interactions energy: -167.762
where: short stacking energy: -78.059
Base-Backbone interact. energy: 1.263
local terms energy: -118.392762
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -10.134
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: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -240.381436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.381436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.381436 (E_RNA)
where:
Base-Base interactions energy: -140.660
where: short stacking energy: -82.916
Base-Backbone interact. energy: -0.771
local terms energy: -98.949734
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -22.206
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -11.503
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: 197
Temperature: 0.900000
Total energy: -552.858625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.858625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.858625 (E_RNA)
where:
Base-Base interactions energy: -371.417
where: short stacking energy: -174.684
Base-Backbone interact. energy: 0.592
local terms energy: -182.033243
where:
bonds (distance) C4'-P energy: -35.882
bonds (distance) P-C4' energy: -29.801
flat angles C4'-P-C4' energy: -38.944
flat angles P-C4'-P energy: -28.661
tors. eta vs tors. theta energy: -48.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -570.185450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.185450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.185450 (E_RNA)
where:
Base-Base interactions energy: -384.298
where: short stacking energy: -180.373
Base-Backbone interact. energy: -0.022
local terms energy: -185.865200
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -31.295
flat angles C4'-P-C4' energy: -35.916
flat angles P-C4'-P energy: -31.638
tors. eta vs tors. theta energy: -54.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -498.294108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.294108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.294108 (E_RNA)
where:
Base-Base interactions energy: -318.997
where: short stacking energy: -158.282
Base-Backbone interact. energy: -0.913
local terms energy: -178.384417
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: -40.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -485.747496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.747496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.747496 (E_RNA)
where:
Base-Base interactions energy: -306.487
where: short stacking energy: -171.572
Base-Backbone interact. energy: -1.296
local terms energy: -177.963816
where:
bonds (distance) C4'-P energy: -29.161
bonds (distance) P-C4' energy: -34.093
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -47.636
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: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -491.122543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.122543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.122543 (E_RNA)
where:
Base-Base interactions energy: -326.756
where: short stacking energy: -155.231
Base-Backbone interact. energy: -0.707
local terms energy: -163.659230
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -35.764
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -43.848
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: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -350.627641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.627641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.627641 (E_RNA)
where:
Base-Base interactions energy: -217.094
where: short stacking energy: -111.565
Base-Backbone interact. energy: -0.553
local terms energy: -132.980154
where:
bonds (distance) C4'-P energy: -38.223
bonds (distance) P-C4' energy: -28.580
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -342.541993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.541993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.541993 (E_RNA)
where:
Base-Base interactions energy: -221.890
where: short stacking energy: -118.019
Base-Backbone interact. energy: -1.542
local terms energy: -119.110114
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -24.199
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -324.520563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.520563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.520563 (E_RNA)
where:
Base-Base interactions energy: -187.741
where: short stacking energy: -91.270
Base-Backbone interact. energy: 0.789
local terms energy: -137.568621
where:
bonds (distance) C4'-P energy: -31.609
bonds (distance) P-C4' energy: -36.843
flat angles C4'-P-C4' energy: -29.139
flat angles P-C4'-P energy: -22.505
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: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -319.923767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.923767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.923767 (E_RNA)
where:
Base-Base interactions energy: -211.240
where: short stacking energy: -102.285
Base-Backbone interact. energy: -0.174
local terms energy: -108.509342
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -18.837
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: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -227.538216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.538216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.538216 (E_RNA)
where:
Base-Base interactions energy: -112.272
where: short stacking energy: -62.708
Base-Backbone interact. energy: -0.187
local terms energy: -115.078390
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -34.255
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -569.348020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.348020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.348020 (E_RNA)
where:
Base-Base interactions energy: -380.331
where: short stacking energy: -171.231
Base-Backbone interact. energy: -0.533
local terms energy: -188.484774
where:
bonds (distance) C4'-P energy: -37.740
bonds (distance) P-C4' energy: -35.854
flat angles C4'-P-C4' energy: -39.117
flat angles P-C4'-P energy: -29.193
tors. eta vs tors. theta energy: -46.581
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: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -541.317338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.317338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.317338 (E_RNA)
where:
Base-Base interactions energy: -368.280
where: short stacking energy: -168.496
Base-Backbone interact. energy: -0.293
local terms energy: -172.744684
where:
bonds (distance) C4'-P energy: -31.278
bonds (distance) P-C4' energy: -35.246
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -45.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -521.409593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.409593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.409593 (E_RNA)
where:
Base-Base interactions energy: -339.818
where: short stacking energy: -175.795
Base-Backbone interact. energy: -0.727
local terms energy: -180.865003
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -39.105
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: -49.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -508.148076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.148076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.148076 (E_RNA)
where:
Base-Base interactions energy: -346.916
where: short stacking energy: -158.245
Base-Backbone interact. energy: 0.423
local terms energy: -161.654627
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -36.174
flat angles C4'-P-C4' energy: -36.484
flat angles P-C4'-P energy: -20.219
tors. eta vs tors. theta energy: -37.985
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: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -486.274506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.274506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.274506 (E_RNA)
where:
Base-Base interactions energy: -313.974
where: short stacking energy: -151.552
Base-Backbone interact. energy: 2.251
local terms energy: -174.551276
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -40.270
flat angles C4'-P-C4' energy: -34.855
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -41.769
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: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -359.075539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.075539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.075539 (E_RNA)
where:
Base-Base interactions energy: -233.077
where: short stacking energy: -105.070
Base-Backbone interact. energy: -1.273
local terms energy: -124.724886
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -19.165
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -350.825634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.825634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.825634 (E_RNA)
where:
Base-Base interactions energy: -221.635
where: short stacking energy: -126.260
Base-Backbone interact. energy: -0.379
local terms energy: -128.810861
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -28.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -319.945375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.945375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.945375 (E_RNA)
where:
Base-Base interactions energy: -198.669
where: short stacking energy: -95.767
Base-Backbone interact. energy: -0.345
local terms energy: -120.931145
where:
bonds (distance) C4'-P energy: -31.175
bonds (distance) P-C4' energy: -30.576
flat angles C4'-P-C4' energy: -29.942
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -244.288669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.288669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.288669 (E_RNA)
where:
Base-Base interactions energy: -130.521
where: short stacking energy: -78.751
Base-Backbone interact. energy: -0.734
local terms energy: -113.033597
where:
bonds (distance) C4'-P energy: -28.050
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -30.437
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -302.014246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.014246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.014246 (E_RNA)
where:
Base-Base interactions energy: -176.234
where: short stacking energy: -79.776
Base-Backbone interact. energy: 0.838
local terms energy: -126.618313
where:
bonds (distance) C4'-P energy: -34.866
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -562.047594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.047594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.047594 (E_RNA)
where:
Base-Base interactions energy: -376.639
where: short stacking energy: -174.484
Base-Backbone interact. energy: 0.539
local terms energy: -185.948108
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -36.413
flat angles C4'-P-C4' energy: -38.525
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -45.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -539.069745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.069745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.069745 (E_RNA)
where:
Base-Base interactions energy: -363.757
where: short stacking energy: -160.741
Base-Backbone interact. energy: -0.534
local terms energy: -174.778999
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -35.164
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -44.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -517.904503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.904503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.904503 (E_RNA)
where:
Base-Base interactions energy: -340.010
where: short stacking energy: -176.343
Base-Backbone interact. energy: -0.432
local terms energy: -177.461752
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -38.104
flat angles C4'-P-C4' energy: -38.390
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -48.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -498.023340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.023340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.023340 (E_RNA)
where:
Base-Base interactions energy: -330.096
where: short stacking energy: -164.615
Base-Backbone interact. energy: -0.073
local terms energy: -167.854091
where:
bonds (distance) C4'-P energy: -31.909
bonds (distance) P-C4' energy: -35.678
flat angles C4'-P-C4' energy: -39.973
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -41.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -467.964631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.964631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.964631 (E_RNA)
where:
Base-Base interactions energy: -300.446
where: short stacking energy: -145.254
Base-Backbone interact. energy: -0.074
local terms energy: -167.444680
where:
bonds (distance) C4'-P energy: -36.186
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -43.464
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: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -373.289471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.289471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.289471 (E_RNA)
where:
Base-Base interactions energy: -241.292
where: short stacking energy: -120.143
Base-Backbone interact. energy: 1.256
local terms energy: -133.253275
where:
bonds (distance) C4'-P energy: -36.295
bonds (distance) P-C4' energy: -30.302
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -19.727
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: 199
Temperature: 1.200000
Total energy: -331.718114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.718114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.718114 (E_RNA)
where:
Base-Base interactions energy: -198.722
where: short stacking energy: -108.676
Base-Backbone interact. energy: -0.414
local terms energy: -132.581996
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -37.180
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -330.980456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.980456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.980456 (E_RNA)
where:
Base-Base interactions energy: -202.108
where: short stacking energy: -110.336
Base-Backbone interact. energy: -0.625
local terms energy: -128.247797
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -24.285
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -256.458048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.458048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.458048 (E_RNA)
where:
Base-Base interactions energy: -153.186
where: short stacking energy: -76.786
Base-Backbone interact. energy: -1.237
local terms energy: -102.034648
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -279.847665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.847665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.847665 (E_RNA)
where:
Base-Base interactions energy: -175.213
where: short stacking energy: -79.574
Base-Backbone interact. energy: -0.191
local terms energy: -104.443454
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -35.488
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -5.078
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: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -563.570981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.570981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.570981 (E_RNA)
where:
Base-Base interactions energy: -376.543
where: short stacking energy: -180.077
Base-Backbone interact. energy: -0.427
local terms energy: -186.600748
where:
bonds (distance) C4'-P energy: -35.839
bonds (distance) P-C4' energy: -34.958
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -48.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -532.690319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.690319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.690319 (E_RNA)
where:
Base-Base interactions energy: -365.925
where: short stacking energy: -164.306
Base-Backbone interact. energy: 0.889
local terms energy: -167.653929
where:
bonds (distance) C4'-P energy: -30.958
bonds (distance) P-C4' energy: -36.841
flat angles C4'-P-C4' energy: -37.479
flat angles P-C4'-P energy: -22.829
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: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -533.434093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.434093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.434093 (E_RNA)
where:
Base-Base interactions energy: -341.371
where: short stacking energy: -179.124
Base-Backbone interact. energy: 0.830
local terms energy: -192.893328
where:
bonds (distance) C4'-P energy: -36.624
bonds (distance) P-C4' energy: -35.178
flat angles C4'-P-C4' energy: -35.826
flat angles P-C4'-P energy: -30.075
tors. eta vs tors. theta energy: -55.190
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: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -483.332414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.332414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.332414 (E_RNA)
where:
Base-Base interactions energy: -334.008
where: short stacking energy: -153.502
Base-Backbone interact. energy: -0.692
local terms energy: -148.632535
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -32.156
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -21.622
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: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -471.087847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.087847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.087847 (E_RNA)
where:
Base-Base interactions energy: -306.747
where: short stacking energy: -152.570
Base-Backbone interact. energy: -0.330
local terms energy: -164.010093
where:
bonds (distance) C4'-P energy: -26.897
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -44.079
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: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -363.263836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.263836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.263836 (E_RNA)
where:
Base-Base interactions energy: -227.984
where: short stacking energy: -110.506
Base-Backbone interact. energy: -0.793
local terms energy: -134.486816
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -32.319
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -321.817227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.817227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.817227 (E_RNA)
where:
Base-Base interactions energy: -203.080
where: short stacking energy: -103.222
Base-Backbone interact. energy: -0.122
local terms energy: -118.615842
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -28.367
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -18.995
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: 200
Temperature: 1.250000
Total energy: -325.443395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.443395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.443395 (E_RNA)
where:
Base-Base interactions energy: -201.952
where: short stacking energy: -96.539
Base-Backbone interact. energy: 0.273
local terms energy: -123.764690
where:
bonds (distance) C4'-P energy: -21.725
bonds (distance) P-C4' energy: -32.129
flat angles C4'-P-C4' energy: -37.420
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -305.861973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.861973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.861973 (E_RNA)
where:
Base-Base interactions energy: -188.690
where: short stacking energy: -110.307
Base-Backbone interact. energy: 0.169
local terms energy: -117.341005
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -39.478
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -14.751
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: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -234.983847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.983847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.983847 (E_RNA)
where:
Base-Base interactions energy: -118.211
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.238
local terms energy: -116.535517
where:
bonds (distance) C4'-P energy: -25.903
bonds (distance) P-C4' energy: -33.558
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -569.415643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.415643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.415643 (E_RNA)
where:
Base-Base interactions energy: -386.450
where: short stacking energy: -190.704
Base-Backbone interact. energy: -0.130
local terms energy: -182.835583
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -38.765
flat angles P-C4'-P energy: -28.454
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: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -537.541037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.541037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.541037 (E_RNA)
where:
Base-Base interactions energy: -346.191
where: short stacking energy: -188.339
Base-Backbone interact. energy: -0.305
local terms energy: -191.045161
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -27.917
tors. eta vs tors. theta energy: -52.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -520.499618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.499618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.499618 (E_RNA)
where:
Base-Base interactions energy: -343.902
where: short stacking energy: -151.752
Base-Backbone interact. energy: 0.116
local terms energy: -176.713373
where:
bonds (distance) C4'-P energy: -37.905
bonds (distance) P-C4' energy: -35.761
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -45.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -491.566727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.566727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.566727 (E_RNA)
where:
Base-Base interactions energy: -328.517
where: short stacking energy: -151.775
Base-Backbone interact. energy: -0.958
local terms energy: -162.091714
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -33.083
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -40.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -463.764715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.764715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.764715 (E_RNA)
where:
Base-Base interactions energy: -300.143
where: short stacking energy: -152.300
Base-Backbone interact. energy: -0.074
local terms energy: -163.546780
where:
bonds (distance) C4'-P energy: -31.545
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -35.186
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -45.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -355.808274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.808274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.808274 (E_RNA)
where:
Base-Base interactions energy: -212.851
where: short stacking energy: -104.627
Base-Backbone interact. energy: -0.147
local terms energy: -142.810319
where:
bonds (distance) C4'-P energy: -36.761
bonds (distance) P-C4' energy: -32.952
flat angles C4'-P-C4' energy: -34.182
flat angles P-C4'-P energy: -14.395
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: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -319.432525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.432525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.432525 (E_RNA)
where:
Base-Base interactions energy: -185.778
where: short stacking energy: -104.850
Base-Backbone interact. energy: -0.885
local terms energy: -132.768961
where:
bonds (distance) C4'-P energy: -31.454
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -36.311
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -21.563
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: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -314.074650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.074650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.074650 (E_RNA)
where:
Base-Base interactions energy: -191.849
where: short stacking energy: -96.527
Base-Backbone interact. energy: -0.645
local terms energy: -121.580747
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -26.235
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -312.480705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.480705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.480705 (E_RNA)
where:
Base-Base interactions energy: -184.224
where: short stacking energy: -96.542
Base-Backbone interact. energy: -0.258
local terms energy: -127.998447
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -16.262
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -216.005988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.005988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.005988 (E_RNA)
where:
Base-Base interactions energy: -116.558
where: short stacking energy: -65.703
Base-Backbone interact. energy: -0.316
local terms energy: -99.132736
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -32.747
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -566.574677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.574677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.574677 (E_RNA)
where:
Base-Base interactions energy: -388.670
where: short stacking energy: -179.322
Base-Backbone interact. energy: -0.472
local terms energy: -177.432128
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -36.659
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -55.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -532.415176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.415176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.415176 (E_RNA)
where:
Base-Base interactions energy: -347.491
where: short stacking energy: -175.511
Base-Backbone interact. energy: 0.455
local terms energy: -185.379232
where:
bonds (distance) C4'-P energy: -37.203
bonds (distance) P-C4' energy: -38.253
flat angles C4'-P-C4' energy: -39.395
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -51.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -528.193141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.193141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.193141 (E_RNA)
where:
Base-Base interactions energy: -364.044
where: short stacking energy: -169.976
Base-Backbone interact. energy: -0.651
local terms energy: -163.498516
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -29.133
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -41.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -496.093890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.093890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.093890 (E_RNA)
where:
Base-Base interactions energy: -349.610
where: short stacking energy: -159.562
Base-Backbone interact. energy: -0.909
local terms energy: -145.575211
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -37.990
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: -36.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -463.789689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.789689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.789689 (E_RNA)
where:
Base-Base interactions energy: -310.088
where: short stacking energy: -140.768
Base-Backbone interact. energy: -0.765
local terms energy: -152.937147
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -33.450
flat angles C4'-P-C4' energy: -35.225
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -36.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -370.919376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.919376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.919376 (E_RNA)
where:
Base-Base interactions energy: -227.546
where: short stacking energy: -119.399
Base-Backbone interact. energy: -0.201
local terms energy: -143.172170
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -34.413
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -25.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -327.216208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.216208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.216208 (E_RNA)
where:
Base-Base interactions energy: -196.581
where: short stacking energy: -106.891
Base-Backbone interact. energy: -0.446
local terms energy: -130.188997
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -288.934980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.934980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.934980 (E_RNA)
where:
Base-Base interactions energy: -177.242
where: short stacking energy: -87.473
Base-Backbone interact. energy: -1.281
local terms energy: -110.411781
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -27.976
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -297.570619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.570619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.570619 (E_RNA)
where:
Base-Base interactions energy: -184.278
where: short stacking energy: -86.519
Base-Backbone interact. energy: -0.291
local terms energy: -113.000861
where:
bonds (distance) C4'-P energy: -28.056
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -26.620
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -247.059428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.059428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.059428 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -66.525
Base-Backbone interact. energy: -0.895
local terms energy: -126.001633
where:
bonds (distance) C4'-P energy: -34.343
bonds (distance) P-C4' energy: -38.527
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -11.579
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: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -559.949719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.949719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.949719 (E_RNA)
where:
Base-Base interactions energy: -384.777
where: short stacking energy: -174.986
Base-Backbone interact. energy: -0.372
local terms energy: -174.801432
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -27.554
tors. eta vs tors. theta energy: -46.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -547.133826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.133826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.133826 (E_RNA)
where:
Base-Base interactions energy: -368.807
where: short stacking energy: -168.097
Base-Backbone interact. energy: -1.545
local terms energy: -176.781422
where:
bonds (distance) C4'-P energy: -29.258
bonds (distance) P-C4' energy: -34.931
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -45.324
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: 203
Temperature: 1.000000
Total energy: -518.920155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.920155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.920155 (E_RNA)
where:
Base-Base interactions energy: -343.256
where: short stacking energy: -167.861
Base-Backbone interact. energy: 0.367
local terms energy: -176.031305
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -31.379
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -52.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -501.723512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.723512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.723512 (E_RNA)
where:
Base-Base interactions energy: -342.231
where: short stacking energy: -161.979
Base-Backbone interact. energy: -0.993
local terms energy: -158.499218
where:
bonds (distance) C4'-P energy: -28.914
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -32.947
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -47.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -430.004817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.004817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.004817 (E_RNA)
where:
Base-Base interactions energy: -284.835
where: short stacking energy: -146.347
Base-Backbone interact. energy: -0.256
local terms energy: -144.913873
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -19.850
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: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -356.381873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.381873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.381873 (E_RNA)
where:
Base-Base interactions energy: -223.606
where: short stacking energy: -104.245
Base-Backbone interact. energy: -0.537
local terms energy: -132.238620
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -32.909
flat angles C4'-P-C4' energy: -37.272
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -330.045700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.045700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.045700 (E_RNA)
where:
Base-Base interactions energy: -211.589
where: short stacking energy: -94.082
Base-Backbone interact. energy: -0.307
local terms energy: -118.149767
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -31.217
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -16.218
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -301.794299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.794299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.794299 (E_RNA)
where:
Base-Base interactions energy: -171.504
where: short stacking energy: -83.113
Base-Backbone interact. energy: -0.629
local terms energy: -129.661427
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -26.906
flat angles P-C4'-P energy: -17.777
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: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -303.605624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.605624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.605624 (E_RNA)
where:
Base-Base interactions energy: -180.050
where: short stacking energy: -92.728
Base-Backbone interact. energy: 1.281
local terms energy: -124.837206
where:
bonds (distance) C4'-P energy: -34.275
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -225.871153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.871153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.871153 (E_RNA)
where:
Base-Base interactions energy: -117.828
where: short stacking energy: -72.797
Base-Backbone interact. energy: 1.170
local terms energy: -109.212795
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -8.642
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: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -570.150407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.150407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.150407 (E_RNA)
where:
Base-Base interactions energy: -381.937
where: short stacking energy: -176.370
Base-Backbone interact. energy: -0.699
local terms energy: -187.514053
where:
bonds (distance) C4'-P energy: -36.311
bonds (distance) P-C4' energy: -37.626
flat angles C4'-P-C4' energy: -39.079
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: -50.731
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: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -535.042789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.042789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.042789 (E_RNA)
where:
Base-Base interactions energy: -360.386
where: short stacking energy: -165.321
Base-Backbone interact. energy: 0.589
local terms energy: -175.245334
where:
bonds (distance) C4'-P energy: -37.100
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -43.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -510.934132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.934132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.934132 (E_RNA)
where:
Base-Base interactions energy: -338.303
where: short stacking energy: -158.337
Base-Backbone interact. energy: -0.870
local terms energy: -171.761079
where:
bonds (distance) C4'-P energy: -27.850
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -37.459
flat angles P-C4'-P energy: -29.247
tors. eta vs tors. theta energy: -42.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -503.913372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.913372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.913372 (E_RNA)
where:
Base-Base interactions energy: -337.053
where: short stacking energy: -156.905
Base-Backbone interact. energy: -0.224
local terms energy: -166.636862
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -31.152
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -43.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -493.310986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.310986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.310986 (E_RNA)
where:
Base-Base interactions energy: -332.577
where: short stacking energy: -161.184
Base-Backbone interact. energy: 0.121
local terms energy: -160.854613
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -37.947
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -38.269
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: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -354.995469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.995469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.995469 (E_RNA)
where:
Base-Base interactions energy: -218.826
where: short stacking energy: -111.709
Base-Backbone interact. energy: -1.195
local terms energy: -134.974954
where:
bonds (distance) C4'-P energy: -37.947
bonds (distance) P-C4' energy: -28.410
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -315.521411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.521411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.521411 (E_RNA)
where:
Base-Base interactions energy: -179.668
where: short stacking energy: -85.329
Base-Backbone interact. energy: -1.521
local terms energy: -134.333141
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -17.170
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: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -338.362514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.362514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.362514 (E_RNA)
where:
Base-Base interactions energy: -212.295
where: short stacking energy: -105.259
Base-Backbone interact. energy: -0.869
local terms energy: -125.198681
where:
bonds (distance) C4'-P energy: -34.697
bonds (distance) P-C4' energy: -31.518
flat angles C4'-P-C4' energy: -28.145
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -13.608
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: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -299.518825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.518825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.518825 (E_RNA)
where:
Base-Base interactions energy: -185.309
where: short stacking energy: -99.490
Base-Backbone interact. energy: -0.343
local terms energy: -113.866420
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -226.150154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.150154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.150154 (E_RNA)
where:
Base-Base interactions energy: -118.088
where: short stacking energy: -63.209
Base-Backbone interact. energy: 2.242
local terms energy: -110.303656
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -31.234
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -585.881087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.881087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.881087 (E_RNA)
where:
Base-Base interactions energy: -394.191
where: short stacking energy: -182.220
Base-Backbone interact. energy: -0.257
local terms energy: -191.432387
where:
bonds (distance) C4'-P energy: -30.929
bonds (distance) P-C4' energy: -32.961
flat angles C4'-P-C4' energy: -40.259
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -54.284
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: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -535.787407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.787407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.787407 (E_RNA)
where:
Base-Base interactions energy: -369.604
where: short stacking energy: -172.783
Base-Backbone interact. energy: 0.778
local terms energy: -166.961703
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -39.079
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -46.266
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: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -523.357358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.357358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.357358 (E_RNA)
where:
Base-Base interactions energy: -338.374
where: short stacking energy: -152.498
Base-Backbone interact. energy: -0.321
local terms energy: -184.662664
where:
bonds (distance) C4'-P energy: -36.516
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -38.286
flat angles P-C4'-P energy: -25.977
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: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -491.373720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.373720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.373720 (E_RNA)
where:
Base-Base interactions energy: -328.025
where: short stacking energy: -156.567
Base-Backbone interact. energy: -0.435
local terms energy: -162.913097
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -32.269
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -23.535
tors. eta vs tors. theta energy: -45.037
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: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -492.105436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.105436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.105436 (E_RNA)
where:
Base-Base interactions energy: -312.354
where: short stacking energy: -150.108
Base-Backbone interact. energy: -0.192
local terms energy: -179.559966
where:
bonds (distance) C4'-P energy: -39.072
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -43.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -355.363404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.363404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.363404 (E_RNA)
where:
Base-Base interactions energy: -198.365
where: short stacking energy: -108.078
Base-Backbone interact. energy: -0.670
local terms energy: -156.328018
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -40.405
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -24.597
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: 205
Temperature: 1.200000
Total energy: -349.466281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.466281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.466281 (E_RNA)
where:
Base-Base interactions energy: -208.336
where: short stacking energy: -102.812
Base-Backbone interact. energy: -0.279
local terms energy: -140.851572
where:
bonds (distance) C4'-P energy: -33.073
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -307.578381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.578381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.578381 (E_RNA)
where:
Base-Base interactions energy: -190.847
where: short stacking energy: -88.014
Base-Backbone interact. energy: -0.996
local terms energy: -115.735369
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -35.523
flat angles C4'-P-C4' energy: -24.925
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -8.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -305.231020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.231020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.231020 (E_RNA)
where:
Base-Base interactions energy: -164.976
where: short stacking energy: -81.832
Base-Backbone interact. energy: -0.841
local terms energy: -139.413255
where:
bonds (distance) C4'-P energy: -38.684
bonds (distance) P-C4' energy: -31.785
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -21.885
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: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -230.397961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.397961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.397961 (E_RNA)
where:
Base-Base interactions energy: -115.238
where: short stacking energy: -69.719
Base-Backbone interact. energy: -0.233
local terms energy: -114.927398
where:
bonds (distance) C4'-P energy: -28.948
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -10.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -553.491134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.491134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.491134 (E_RNA)
where:
Base-Base interactions energy: -371.896
where: short stacking energy: -169.621
Base-Backbone interact. energy: 0.296
local terms energy: -181.891174
where:
bonds (distance) C4'-P energy: -37.264
bonds (distance) P-C4' energy: -34.510
flat angles C4'-P-C4' energy: -38.379
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -45.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -541.834630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.834630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.834630 (E_RNA)
where:
Base-Base interactions energy: -357.101
where: short stacking energy: -161.264
Base-Backbone interact. energy: -0.521
local terms energy: -184.212445
where:
bonds (distance) C4'-P energy: -35.992
bonds (distance) P-C4' energy: -35.788
flat angles C4'-P-C4' energy: -39.392
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -47.906
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: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -514.197010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.197010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.197010 (E_RNA)
where:
Base-Base interactions energy: -342.290
where: short stacking energy: -168.409
Base-Backbone interact. energy: -0.276
local terms energy: -171.631051
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -26.209
tors. eta vs tors. theta energy: -43.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -499.945052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.945052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.945052 (E_RNA)
where:
Base-Base interactions energy: -334.213
where: short stacking energy: -151.464
Base-Backbone interact. energy: -0.798
local terms energy: -164.933343
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -32.769
flat angles C4'-P-C4' energy: -39.564
flat angles P-C4'-P energy: -22.180
tors. eta vs tors. theta energy: -42.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -507.181934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.181934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.181934 (E_RNA)
where:
Base-Base interactions energy: -343.359
where: short stacking energy: -162.596
Base-Backbone interact. energy: -0.498
local terms energy: -163.325386
where:
bonds (distance) C4'-P energy: -37.076
bonds (distance) P-C4' energy: -34.164
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -41.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -352.361258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.361258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.361258 (E_RNA)
where:
Base-Base interactions energy: -223.065
where: short stacking energy: -101.317
Base-Backbone interact. energy: -0.453
local terms energy: -128.843184
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -30.555
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -339.028617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.028617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.028617 (E_RNA)
where:
Base-Base interactions energy: -215.316
where: short stacking energy: -114.150
Base-Backbone interact. energy: -0.231
local terms energy: -123.481914
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -28.355
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -340.704359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.704359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.704359 (E_RNA)
where:
Base-Base interactions energy: -214.889
where: short stacking energy: -103.167
Base-Backbone interact. energy: -0.764
local terms energy: -125.051800
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -19.881
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -308.601300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.601300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.601300 (E_RNA)
where:
Base-Base interactions energy: -190.603
where: short stacking energy: -92.253
Base-Backbone interact. energy: 3.827
local terms energy: -121.826075
where:
bonds (distance) C4'-P energy: -28.511
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -223.557621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.557621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.557621 (E_RNA)
where:
Base-Base interactions energy: -107.531
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.386
local terms energy: -115.640055
where:
bonds (distance) C4'-P energy: -25.076
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -547.201537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.201537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.201537 (E_RNA)
where:
Base-Base interactions energy: -376.920
where: short stacking energy: -171.804
Base-Backbone interact. energy: 0.768
local terms energy: -171.049752
where:
bonds (distance) C4'-P energy: -30.050
bonds (distance) P-C4' energy: -32.986
flat angles C4'-P-C4' energy: -40.407
flat angles P-C4'-P energy: -22.843
tors. eta vs tors. theta energy: -44.763
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: 207
Temperature: 0.950000
Total energy: -550.327719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.327719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.327719 (E_RNA)
where:
Base-Base interactions energy: -372.566
where: short stacking energy: -181.745
Base-Backbone interact. energy: -0.138
local terms energy: -177.623673
where:
bonds (distance) C4'-P energy: -36.306
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -37.013
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -47.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -528.337139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.337139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.337139 (E_RNA)
where:
Base-Base interactions energy: -344.051
where: short stacking energy: -175.934
Base-Backbone interact. energy: -0.130
local terms energy: -184.156102
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -39.516
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -50.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -495.597340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.597340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.597340 (E_RNA)
where:
Base-Base interactions energy: -316.155
where: short stacking energy: -166.623
Base-Backbone interact. energy: -0.270
local terms energy: -179.173118
where:
bonds (distance) C4'-P energy: -36.496
bonds (distance) P-C4' energy: -37.924
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -45.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -455.603231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.603231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.603231 (E_RNA)
where:
Base-Base interactions energy: -296.300
where: short stacking energy: -128.729
Base-Backbone interact. energy: -0.850
local terms energy: -158.453600
where:
bonds (distance) C4'-P energy: -33.448
bonds (distance) P-C4' energy: -33.519
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: -27.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -354.259756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.259756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.259756 (E_RNA)
where:
Base-Base interactions energy: -213.378
where: short stacking energy: -114.612
Base-Backbone interact. energy: 1.991
local terms energy: -142.873257
where:
bonds (distance) C4'-P energy: -33.677
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -33.100
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -20.701
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: 207
Temperature: 1.200000
Total energy: -346.014888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.014888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.014888 (E_RNA)
where:
Base-Base interactions energy: -209.646
where: short stacking energy: -107.917
Base-Backbone interact. energy: -0.137
local terms energy: -136.231953
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -33.917
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -24.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -304.502996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.502996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.502996 (E_RNA)
where:
Base-Base interactions energy: -172.495
where: short stacking energy: -82.792
Base-Backbone interact. energy: 0.665
local terms energy: -132.673145
where:
bonds (distance) C4'-P energy: -32.274
bonds (distance) P-C4' energy: -36.451
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -10.804
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: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -287.370533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.370533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.370533 (E_RNA)
where:
Base-Base interactions energy: -174.874
where: short stacking energy: -79.562
Base-Backbone interact. energy: -0.601
local terms energy: -111.895068
where:
bonds (distance) C4'-P energy: -28.639
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -13.256
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: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -241.747272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.747272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.747272 (E_RNA)
where:
Base-Base interactions energy: -115.378
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.307
local terms energy: -126.063010
where:
bonds (distance) C4'-P energy: -33.017
bonds (distance) P-C4' energy: -29.554
flat angles C4'-P-C4' energy: -32.185
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -15.866
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: 208
Temperature: 0.900000
Total energy: -553.662589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.662589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.662589 (E_RNA)
where:
Base-Base interactions energy: -383.802
where: short stacking energy: -181.075
Base-Backbone interact. energy: -0.053
local terms energy: -169.807664
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -39.154
flat angles C4'-P-C4' energy: -38.263
flat angles P-C4'-P energy: -18.764
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: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -562.163998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.163998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.163998 (E_RNA)
where:
Base-Base interactions energy: -385.054
where: short stacking energy: -178.384
Base-Backbone interact. energy: -0.172
local terms energy: -176.938302
where:
bonds (distance) C4'-P energy: -29.799
bonds (distance) P-C4' energy: -32.994
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -47.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -522.164671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.164671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.164671 (E_RNA)
where:
Base-Base interactions energy: -347.897
where: short stacking energy: -176.891
Base-Backbone interact. energy: -0.770
local terms energy: -173.497858
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -31.045
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -52.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -522.613958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.613958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.613958 (E_RNA)
where:
Base-Base interactions energy: -327.453
where: short stacking energy: -168.914
Base-Backbone interact. energy: -0.575
local terms energy: -194.585983
where:
bonds (distance) C4'-P energy: -34.530
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -40.012
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -50.257
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: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -463.166774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.166774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.166774 (E_RNA)
where:
Base-Base interactions energy: -303.032
where: short stacking energy: -121.432
Base-Backbone interact. energy: -0.427
local terms energy: -159.708489
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -36.677
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -31.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -352.367695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.367695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.367695 (E_RNA)
where:
Base-Base interactions energy: -219.476
where: short stacking energy: -104.596
Base-Backbone interact. energy: -0.350
local terms energy: -132.541557
where:
bonds (distance) C4'-P energy: -27.575
bonds (distance) P-C4' energy: -36.936
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -336.698832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.698832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.698832 (E_RNA)
where:
Base-Base interactions energy: -203.091
where: short stacking energy: -100.489
Base-Backbone interact. energy: -0.185
local terms energy: -133.422452
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -35.966
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -23.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -314.647341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.647341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.647341 (E_RNA)
where:
Base-Base interactions energy: -185.299
where: short stacking energy: -97.044
Base-Backbone interact. energy: 2.698
local terms energy: -132.045586
where:
bonds (distance) C4'-P energy: -35.134
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -248.638147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.638147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.638147 (E_RNA)
where:
Base-Base interactions energy: -136.563
where: short stacking energy: -90.380
Base-Backbone interact. energy: 1.010
local terms energy: -113.085603
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -27.609
flat angles C4'-P-C4' energy: -30.715
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -295.286732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.286732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.286732 (E_RNA)
where:
Base-Base interactions energy: -186.697
where: short stacking energy: -81.318
Base-Backbone interact. energy: -1.150
local terms energy: -107.438903
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -579.609318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.609318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.609318 (E_RNA)
where:
Base-Base interactions energy: -391.370
where: short stacking energy: -179.230
Base-Backbone interact. energy: -1.276
local terms energy: -186.963634
where:
bonds (distance) C4'-P energy: -37.181
bonds (distance) P-C4' energy: -33.805
flat angles C4'-P-C4' energy: -38.633
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -48.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -544.765015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.765015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.765015 (E_RNA)
where:
Base-Base interactions energy: -361.112
where: short stacking energy: -186.369
Base-Backbone interact. energy: 0.879
local terms energy: -184.532853
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: -54.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -526.747182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.747182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.747182 (E_RNA)
where:
Base-Base interactions energy: -341.883
where: short stacking energy: -156.234
Base-Backbone interact. energy: 0.006
local terms energy: -184.870423
where:
bonds (distance) C4'-P energy: -36.054
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -40.995
flat angles P-C4'-P energy: -26.574
tors. eta vs tors. theta energy: -44.148
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: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -486.717625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.717625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.717625 (E_RNA)
where:
Base-Base interactions energy: -328.164
where: short stacking energy: -144.387
Base-Backbone interact. energy: 0.329
local terms energy: -158.882065
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -39.267
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -30.788
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: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -501.777351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.777351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.777351 (E_RNA)
where:
Base-Base interactions energy: -328.665
where: short stacking energy: -169.344
Base-Backbone interact. energy: -0.617
local terms energy: -172.495344
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -51.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -359.191539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.191539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.191539 (E_RNA)
where:
Base-Base interactions energy: -215.383
where: short stacking energy: -113.836
Base-Backbone interact. energy: -0.232
local terms energy: -143.577197
where:
bonds (distance) C4'-P energy: -33.851
bonds (distance) P-C4' energy: -28.619
flat angles C4'-P-C4' energy: -31.015
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -27.772
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: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -355.087159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.087159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.087159 (E_RNA)
where:
Base-Base interactions energy: -213.561
where: short stacking energy: -108.625
Base-Backbone interact. energy: -1.008
local terms energy: -140.517571
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -29.142
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -343.186827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.186827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.186827 (E_RNA)
where:
Base-Base interactions energy: -217.459
where: short stacking energy: -112.957
Base-Backbone interact. energy: -0.062
local terms energy: -125.665392
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -29.659
flat angles C4'-P-C4' energy: -25.922
flat angles P-C4'-P energy: -20.935
tors. eta vs tors. theta energy: -23.310
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: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -228.627387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.627387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.627387 (E_RNA)
where:
Base-Base interactions energy: -117.273
where: short stacking energy: -72.693
Base-Backbone interact. energy: 0.776
local terms energy: -112.130791
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -294.421471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.421471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.421471 (E_RNA)
where:
Base-Base interactions energy: -170.013
where: short stacking energy: -72.393
Base-Backbone interact. energy: 0.589
local terms energy: -124.998069
where:
bonds (distance) C4'-P energy: -38.770
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -9.777
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: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -555.663416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.663416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.663416 (E_RNA)
where:
Base-Base interactions energy: -374.858
where: short stacking energy: -189.487
Base-Backbone interact. energy: -0.547
local terms energy: -180.259340
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -34.564
flat angles C4'-P-C4' energy: -37.456
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -54.251
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: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -545.551105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.551105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.551105 (E_RNA)
where:
Base-Base interactions energy: -368.138
where: short stacking energy: -175.275
Base-Backbone interact. energy: -0.107
local terms energy: -177.305675
where:
bonds (distance) C4'-P energy: -33.358
bonds (distance) P-C4' energy: -36.574
flat angles C4'-P-C4' energy: -36.182
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -48.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -522.583203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.583203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.583203 (E_RNA)
where:
Base-Base interactions energy: -355.812
where: short stacking energy: -160.267
Base-Backbone interact. energy: -0.270
local terms energy: -166.501179
where:
bonds (distance) C4'-P energy: -27.510
bonds (distance) P-C4' energy: -40.837
flat angles C4'-P-C4' energy: -39.323
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -33.957
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: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -501.062443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.062443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.062443 (E_RNA)
where:
Base-Base interactions energy: -332.048
where: short stacking energy: -150.915
Base-Backbone interact. energy: -0.620
local terms energy: -168.394719
where:
bonds (distance) C4'-P energy: -37.312
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -37.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -505.546346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.546346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.546346 (E_RNA)
where:
Base-Base interactions energy: -342.174
where: short stacking energy: -165.609
Base-Backbone interact. energy: -0.660
local terms energy: -162.712921
where:
bonds (distance) C4'-P energy: -31.987
bonds (distance) P-C4' energy: -31.952
flat angles C4'-P-C4' energy: -29.990
flat angles P-C4'-P energy: -22.024
tors. eta vs tors. theta energy: -46.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -346.886709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.886709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.886709 (E_RNA)
where:
Base-Base interactions energy: -205.559
where: short stacking energy: -110.447
Base-Backbone interact. energy: -0.230
local terms energy: -141.097087
where:
bonds (distance) C4'-P energy: -23.510
bonds (distance) P-C4' energy: -41.049
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -348.681074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.681074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.681074 (E_RNA)
where:
Base-Base interactions energy: -214.756
where: short stacking energy: -105.605
Base-Backbone interact. energy: -0.499
local terms energy: -133.426721
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -33.118
flat angles C4'-P-C4' energy: -30.236
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -26.141
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: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -346.512510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.512510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.512510 (E_RNA)
where:
Base-Base interactions energy: -219.307
where: short stacking energy: -93.222
Base-Backbone interact. energy: -0.503
local terms energy: -126.702831
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -17.543
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: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -318.216750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.216750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.216750 (E_RNA)
where:
Base-Base interactions energy: -191.004
where: short stacking energy: -96.660
Base-Backbone interact. energy: -0.251
local terms energy: -126.961050
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -16.895
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: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -233.697009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.697009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.697009 (E_RNA)
where:
Base-Base interactions energy: -115.682
where: short stacking energy: -69.073
Base-Backbone interact. energy: -0.797
local terms energy: -117.217547
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -25.667
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -564.241236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.241236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.241236 (E_RNA)
where:
Base-Base interactions energy: -373.398
where: short stacking energy: -199.019
Base-Backbone interact. energy: -0.005
local terms energy: -190.837848
where:
bonds (distance) C4'-P energy: -38.696
bonds (distance) P-C4' energy: -30.761
flat angles C4'-P-C4' energy: -38.992
flat angles P-C4'-P energy: -25.365
tors. eta vs tors. theta energy: -57.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -554.603268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.603268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.603268 (E_RNA)
where:
Base-Base interactions energy: -384.552
where: short stacking energy: -174.966
Base-Backbone interact. energy: 1.742
local terms energy: -171.793722
where:
bonds (distance) C4'-P energy: -32.516
bonds (distance) P-C4' energy: -32.696
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -25.194
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: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -534.707567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.707567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.707567 (E_RNA)
where:
Base-Base interactions energy: -362.389
where: short stacking energy: -165.842
Base-Backbone interact. energy: 0.445
local terms energy: -172.763706
where:
bonds (distance) C4'-P energy: -36.093
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -35.645
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -493.964199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.964199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.964199 (E_RNA)
where:
Base-Base interactions energy: -326.841
where: short stacking energy: -159.696
Base-Backbone interact. energy: 0.111
local terms energy: -167.234496
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -38.311
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -43.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -487.319694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.319694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.319694 (E_RNA)
where:
Base-Base interactions energy: -325.939
where: short stacking energy: -153.054
Base-Backbone interact. energy: -1.056
local terms energy: -160.323887
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -35.202
flat angles C4'-P-C4' energy: -39.552
flat angles P-C4'-P energy: -23.817
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: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -362.895406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.895406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.895406 (E_RNA)
where:
Base-Base interactions energy: -228.553
where: short stacking energy: -120.563
Base-Backbone interact. energy: 0.032
local terms energy: -134.373883
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -31.820
flat angles C4'-P-C4' energy: -28.443
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -29.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -335.039989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.039989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.039989 (E_RNA)
where:
Base-Base interactions energy: -192.710
where: short stacking energy: -104.884
Base-Backbone interact. energy: 2.085
local terms energy: -144.415674
where:
bonds (distance) C4'-P energy: -36.788
bonds (distance) P-C4' energy: -29.720
flat angles C4'-P-C4' energy: -35.547
flat angles P-C4'-P energy: -21.384
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -413.080905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.080905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.080905 (E_RNA)
where:
Base-Base interactions energy: -275.226
where: short stacking energy: -123.094
Base-Backbone interact. energy: -0.324
local terms energy: -137.530327
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -21.109
tors. eta vs tors. theta energy: -26.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -312.646644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.646644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.646644 (E_RNA)
where:
Base-Base interactions energy: -200.626
where: short stacking energy: -97.616
Base-Backbone interact. energy: 0.182
local terms energy: -112.202605
where:
bonds (distance) C4'-P energy: -30.139
bonds (distance) P-C4' energy: -34.945
flat angles C4'-P-C4' energy: -24.699
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -14.216
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: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -243.334857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.334857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.334857 (E_RNA)
where:
Base-Base interactions energy: -142.972
where: short stacking energy: -87.046
Base-Backbone interact. energy: 5.840
local terms energy: -106.202619
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -36.446
flat angles C4'-P-C4' energy: -26.139
flat angles P-C4'-P energy: -21.709
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -557.974856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.974856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.974856 (E_RNA)
where:
Base-Base interactions energy: -360.138
where: short stacking energy: -198.132
Base-Backbone interact. energy: -0.068
local terms energy: -197.768927
where:
bonds (distance) C4'-P energy: -34.849
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -42.018
flat angles P-C4'-P energy: -28.651
tors. eta vs tors. theta energy: -57.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -539.135276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.135276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.135276 (E_RNA)
where:
Base-Base interactions energy: -366.691
where: short stacking energy: -160.926
Base-Backbone interact. energy: -0.155
local terms energy: -172.289159
where:
bonds (distance) C4'-P energy: -32.330
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -25.169
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: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -512.463967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.463967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.463967 (E_RNA)
where:
Base-Base interactions energy: -339.490
where: short stacking energy: -168.216
Base-Backbone interact. energy: -0.508
local terms energy: -172.466644
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -35.631
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -41.859
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: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -500.952318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.952318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.952318 (E_RNA)
where:
Base-Base interactions energy: -326.791
where: short stacking energy: -158.092
Base-Backbone interact. energy: -0.216
local terms energy: -173.945197
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -32.456
flat angles C4'-P-C4' energy: -35.140
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -48.061
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: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -439.500292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.500292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.500292 (E_RNA)
where:
Base-Base interactions energy: -275.285
where: short stacking energy: -127.111
Base-Backbone interact. energy: -0.984
local terms energy: -163.231279
where:
bonds (distance) C4'-P energy: -33.002
bonds (distance) P-C4' energy: -37.836
flat angles C4'-P-C4' energy: -36.432
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -32.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -339.114023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.114023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.114023 (E_RNA)
where:
Base-Base interactions energy: -209.412
where: short stacking energy: -97.846
Base-Backbone interact. energy: -0.324
local terms energy: -129.378619
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -33.418
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -418.045192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.045192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.045192 (E_RNA)
where:
Base-Base interactions energy: -281.382
where: short stacking energy: -126.686
Base-Backbone interact. energy: -0.854
local terms energy: -135.809427
where:
bonds (distance) C4'-P energy: -30.925
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -33.723
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -29.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -310.241607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.241607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.241607 (E_RNA)
where:
Base-Base interactions energy: -195.061
where: short stacking energy: -85.704
Base-Backbone interact. energy: 1.058
local terms energy: -116.237961
where:
bonds (distance) C4'-P energy: -26.992
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -15.038
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: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -283.998948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.998948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.998948 (E_RNA)
where:
Base-Base interactions energy: -172.039
where: short stacking energy: -82.608
Base-Backbone interact. energy: -0.245
local terms energy: -111.715103
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -29.467
flat angles C4'-P-C4' energy: -29.714
flat angles P-C4'-P energy: -20.157
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: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -214.831899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.831899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.831899 (E_RNA)
where:
Base-Base interactions energy: -123.481
where: short stacking energy: -70.558
Base-Backbone interact. energy: -0.169
local terms energy: -91.181145
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -20.145
flat angles C4'-P-C4' energy: -28.992
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -7.789
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -555.689510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.689510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.689510 (E_RNA)
where:
Base-Base interactions energy: -349.933
where: short stacking energy: -187.499
Base-Backbone interact. energy: -0.372
local terms energy: -205.385108
where:
bonds (distance) C4'-P energy: -33.934
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -44.127
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -53.121
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: 213
Temperature: 0.950000
Total energy: -561.092126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.092126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.092126 (E_RNA)
where:
Base-Base interactions energy: -382.382
where: short stacking energy: -171.981
Base-Backbone interact. energy: -0.081
local terms energy: -178.629772
where:
bonds (distance) C4'-P energy: -34.376
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -29.227
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: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -519.433876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.433876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.433876 (E_RNA)
where:
Base-Base interactions energy: -358.835
where: short stacking energy: -181.669
Base-Backbone interact. energy: -0.708
local terms energy: -159.890410
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -461.208288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.208288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.208288 (E_RNA)
where:
Base-Base interactions energy: -308.095
where: short stacking energy: -149.579
Base-Backbone interact. energy: 0.694
local terms energy: -153.807151
where:
bonds (distance) C4'-P energy: -27.460
bonds (distance) P-C4' energy: -33.231
flat angles C4'-P-C4' energy: -29.719
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -36.922
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: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -504.893973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.893973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.893973 (E_RNA)
where:
Base-Base interactions energy: -333.853
where: short stacking energy: -162.443
Base-Backbone interact. energy: -0.146
local terms energy: -170.895084
where:
bonds (distance) C4'-P energy: -31.721
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -37.839
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -44.560
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: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -444.642178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.642178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.642178 (E_RNA)
where:
Base-Base interactions energy: -292.099
where: short stacking energy: -144.209
Base-Backbone interact. energy: -0.276
local terms energy: -152.266591
where:
bonds (distance) C4'-P energy: -29.405
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -38.181
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: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -340.506073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.506073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.506073 (E_RNA)
where:
Base-Base interactions energy: -213.158
where: short stacking energy: -117.455
Base-Backbone interact. energy: -0.480
local terms energy: -126.868171
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -30.388
flat angles C4'-P-C4' energy: -27.248
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -27.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -356.351879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.351879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.351879 (E_RNA)
where:
Base-Base interactions energy: -211.254
where: short stacking energy: -110.171
Base-Backbone interact. energy: -0.759
local terms energy: -144.339676
where:
bonds (distance) C4'-P energy: -31.455
bonds (distance) P-C4' energy: -32.399
flat angles C4'-P-C4' energy: -37.933
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -325.748391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.748391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.748391 (E_RNA)
where:
Base-Base interactions energy: -185.998
where: short stacking energy: -93.698
Base-Backbone interact. energy: -0.315
local terms energy: -139.435771
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -40.049
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -20.204
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: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -207.380255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.380255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.380255 (E_RNA)
where:
Base-Base interactions energy: -110.192
where: short stacking energy: -69.324
Base-Backbone interact. energy: -2.483
local terms energy: -94.705385
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -1.177
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: 214
Temperature: 0.900000
Total energy: -557.418800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.418800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.418800 (E_RNA)
where:
Base-Base interactions energy: -375.405
where: short stacking energy: -205.354
Base-Backbone interact. energy: -0.023
local terms energy: -181.990567
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -29.837
tors. eta vs tors. theta energy: -54.501
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: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -557.447975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.447975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.447975 (E_RNA)
where:
Base-Base interactions energy: -373.388
where: short stacking energy: -163.436
Base-Backbone interact. energy: -0.016
local terms energy: -184.043660
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -31.771
flat angles C4'-P-C4' energy: -39.387
flat angles P-C4'-P energy: -29.992
tors. eta vs tors. theta energy: -46.288
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: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -534.071084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.071084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.071084 (E_RNA)
where:
Base-Base interactions energy: -349.350
where: short stacking energy: -170.946
Base-Backbone interact. energy: -0.921
local terms energy: -183.799717
where:
bonds (distance) C4'-P energy: -38.557
bonds (distance) P-C4' energy: -36.531
flat angles C4'-P-C4' energy: -34.310
flat angles P-C4'-P energy: -26.939
tors. eta vs tors. theta energy: -47.463
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: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -488.668551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.668551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.668551 (E_RNA)
where:
Base-Base interactions energy: -312.170
where: short stacking energy: -157.800
Base-Backbone interact. energy: -0.418
local terms energy: -176.080797
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -32.624
flat angles C4'-P-C4' energy: -37.929
flat angles P-C4'-P energy: -30.536
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: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -489.760926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.760926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.760926 (E_RNA)
where:
Base-Base interactions energy: -324.904
where: short stacking energy: -160.640
Base-Backbone interact. energy: -0.040
local terms energy: -164.817021
where:
bonds (distance) C4'-P energy: -28.687
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -29.987
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -46.292
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: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -426.430305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.430305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.430305 (E_RNA)
where:
Base-Base interactions energy: -271.593
where: short stacking energy: -130.350
Base-Backbone interact. energy: 1.163
local terms energy: -156.000171
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -31.309
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: -35.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -329.537295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.537295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.537295 (E_RNA)
where:
Base-Base interactions energy: -204.958
where: short stacking energy: -110.431
Base-Backbone interact. energy: -0.587
local terms energy: -123.992793
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -18.079
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: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -305.578325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.578325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.578325 (E_RNA)
where:
Base-Base interactions energy: -181.128
where: short stacking energy: -91.120
Base-Backbone interact. energy: -0.377
local terms energy: -124.072931
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -27.497
flat angles C4'-P-C4' energy: -25.993
flat angles P-C4'-P energy: -23.857
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -313.515619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.515619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.515619 (E_RNA)
where:
Base-Base interactions energy: -195.570
where: short stacking energy: -99.334
Base-Backbone interact. energy: -0.641
local terms energy: -117.304648
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -36.734
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -215.591053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.591053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.591053 (E_RNA)
where:
Base-Base interactions energy: -103.006
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.032
local terms energy: -112.552972
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -30.533
flat angles C4'-P-C4' energy: -34.554
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -560.082860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.082860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.082860 (E_RNA)
where:
Base-Base interactions energy: -373.321
where: short stacking energy: -198.962
Base-Backbone interact. energy: -0.216
local terms energy: -186.545973
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -31.484
flat angles C4'-P-C4' energy: -41.546
flat angles P-C4'-P energy: -24.269
tors. eta vs tors. theta energy: -53.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -551.848105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.848105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.848105 (E_RNA)
where:
Base-Base interactions energy: -371.953
where: short stacking energy: -177.498
Base-Backbone interact. energy: -0.601
local terms energy: -179.294233
where:
bonds (distance) C4'-P energy: -38.400
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -36.748
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -49.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -505.446149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.446149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.446149 (E_RNA)
where:
Base-Base interactions energy: -334.038
where: short stacking energy: -153.897
Base-Backbone interact. energy: -0.941
local terms energy: -170.467403
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -29.945
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -44.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -506.299672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.299672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.299672 (E_RNA)
where:
Base-Base interactions energy: -349.632
where: short stacking energy: -167.296
Base-Backbone interact. energy: -0.360
local terms energy: -156.307831
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -27.328
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -20.271
tors. eta vs tors. theta energy: -46.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -469.822018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.822018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.822018 (E_RNA)
where:
Base-Base interactions energy: -312.789
where: short stacking energy: -149.641
Base-Backbone interact. energy: -1.521
local terms energy: -155.511759
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -45.103
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: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -428.181004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.181004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.181004 (E_RNA)
where:
Base-Base interactions energy: -283.660
where: short stacking energy: -138.849
Base-Backbone interact. energy: -0.210
local terms energy: -144.311564
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -33.865
flat angles C4'-P-C4' energy: -29.894
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -35.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -344.079003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.079003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.079003 (E_RNA)
where:
Base-Base interactions energy: -211.227
where: short stacking energy: -119.059
Base-Backbone interact. energy: 1.234
local terms energy: -134.086901
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -34.945
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -24.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -349.917774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.917774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.917774 (E_RNA)
where:
Base-Base interactions energy: -216.550
where: short stacking energy: -96.089
Base-Backbone interact. energy: 1.700
local terms energy: -135.068077
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -18.926
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: 215
Temperature: 1.300000
Total energy: -304.905088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.905088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.905088 (E_RNA)
where:
Base-Base interactions energy: -184.489
where: short stacking energy: -98.646
Base-Backbone interact. energy: -0.141
local terms energy: -120.274533
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -32.781
flat angles P-C4'-P energy: -18.439
tors. eta vs tors. theta energy: -18.009
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: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -220.869055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.869055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.869055 (E_RNA)
where:
Base-Base interactions energy: -120.272
where: short stacking energy: -73.684
Base-Backbone interact. energy: 0.706
local terms energy: -101.302729
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -25.745
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -569.407570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.407570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.407570 (E_RNA)
where:
Base-Base interactions energy: -384.762
where: short stacking energy: -180.344
Base-Backbone interact. energy: -0.734
local terms energy: -183.910944
where:
bonds (distance) C4'-P energy: -36.061
bonds (distance) P-C4' energy: -39.098
flat angles C4'-P-C4' energy: -40.765
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -42.373
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: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -553.288748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.288748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.288748 (E_RNA)
where:
Base-Base interactions energy: -362.577
where: short stacking energy: -187.813
Base-Backbone interact. energy: -0.089
local terms energy: -190.622481
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -39.998
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -60.021
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: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -515.575771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.575771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.575771 (E_RNA)
where:
Base-Base interactions energy: -344.985
where: short stacking energy: -155.560
Base-Backbone interact. energy: -0.191
local terms energy: -170.400533
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -33.784
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -40.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -515.782114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.782114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.782114 (E_RNA)
where:
Base-Base interactions energy: -336.145
where: short stacking energy: -165.870
Base-Backbone interact. energy: -0.115
local terms energy: -179.522405
where:
bonds (distance) C4'-P energy: -34.151
bonds (distance) P-C4' energy: -33.680
flat angles C4'-P-C4' energy: -40.145
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -46.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -444.431930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.431930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.431930 (E_RNA)
where:
Base-Base interactions energy: -280.624
where: short stacking energy: -141.724
Base-Backbone interact. energy: -0.313
local terms energy: -163.495816
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -34.606
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -39.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -427.037092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.037092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.037092 (E_RNA)
where:
Base-Base interactions energy: -276.438
where: short stacking energy: -134.479
Base-Backbone interact. energy: -0.470
local terms energy: -150.128680
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -35.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -365.529722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.529722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.529722 (E_RNA)
where:
Base-Base interactions energy: -222.441
where: short stacking energy: -107.433
Base-Backbone interact. energy: -0.958
local terms energy: -142.130272
where:
bonds (distance) C4'-P energy: -29.473
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -32.321
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -309.028479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.028479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.028479 (E_RNA)
where:
Base-Base interactions energy: -191.269
where: short stacking energy: -92.916
Base-Backbone interact. energy: -0.718
local terms energy: -117.041470
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -28.439
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -11.504
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: 216
Temperature: 1.300000
Total energy: -297.648996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.648996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.648996 (E_RNA)
where:
Base-Base interactions energy: -186.036
where: short stacking energy: -88.863
Base-Backbone interact. energy: 0.630
local terms energy: -112.243067
where:
bonds (distance) C4'-P energy: -25.552
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -145.355172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.355172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.355172 (E_RNA)
where:
Base-Base interactions energy: -55.192
where: short stacking energy: -41.774
Base-Backbone interact. energy: -0.739
local terms energy: -89.424529
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -17.207
tors. eta vs tors. theta energy: 1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -557.707457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.707457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.707457 (E_RNA)
where:
Base-Base interactions energy: -373.565
where: short stacking energy: -181.395
Base-Backbone interact. energy: 0.003
local terms energy: -184.146330
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -38.454
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -52.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -532.693141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.693141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.693141 (E_RNA)
where:
Base-Base interactions energy: -365.564
where: short stacking energy: -176.902
Base-Backbone interact. energy: -0.865
local terms energy: -166.264004
where:
bonds (distance) C4'-P energy: -31.093
bonds (distance) P-C4' energy: -33.294
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -46.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -507.710845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.710845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.710845 (E_RNA)
where:
Base-Base interactions energy: -331.968
where: short stacking energy: -167.296
Base-Backbone interact. energy: -0.560
local terms energy: -175.182235
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -34.236
flat angles P-C4'-P energy: -28.485
tors. eta vs tors. theta energy: -49.436
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: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -500.227954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.227954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.227954 (E_RNA)
where:
Base-Base interactions energy: -338.532
where: short stacking energy: -161.328
Base-Backbone interact. energy: -0.147
local terms energy: -161.548573
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -38.573
flat angles P-C4'-P energy: -22.487
tors. eta vs tors. theta energy: -42.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -424.047209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.047209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.047209 (E_RNA)
where:
Base-Base interactions energy: -260.460
where: short stacking energy: -124.288
Base-Backbone interact. energy: -0.547
local terms energy: -163.040704
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -35.914
flat angles C4'-P-C4' energy: -40.096
flat angles P-C4'-P energy: -25.166
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: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -423.479712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.479712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.479712 (E_RNA)
where:
Base-Base interactions energy: -269.165
where: short stacking energy: -122.378
Base-Backbone interact. energy: -0.636
local terms energy: -153.678759
where:
bonds (distance) C4'-P energy: -27.596
bonds (distance) P-C4' energy: -34.778
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -30.157
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: 217
Temperature: 1.200000
Total energy: -344.269146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.269146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.269146 (E_RNA)
where:
Base-Base interactions energy: -238.161
where: short stacking energy: -113.499
Base-Backbone interact. energy: 3.170
local terms energy: -109.278518
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -32.737
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -20.909
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: 217
Temperature: 1.250000
Total energy: -299.540131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.540131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.540131 (E_RNA)
where:
Base-Base interactions energy: -187.024
where: short stacking energy: -96.421
Base-Backbone interact. energy: -1.840
local terms energy: -110.675924
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -304.575096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.575096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.575096 (E_RNA)
where:
Base-Base interactions energy: -191.567
where: short stacking energy: -84.911
Base-Backbone interact. energy: 0.592
local terms energy: -113.600829
where:
bonds (distance) C4'-P energy: -32.249
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -9.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -149.657174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.657174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.657174 (E_RNA)
where:
Base-Base interactions energy: -45.857
where: short stacking energy: -42.396
Base-Backbone interact. energy: 0.034
local terms energy: -103.834756
where:
bonds (distance) C4'-P energy: -31.305
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -35.587
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -546.337506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.337506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.337506 (E_RNA)
where:
Base-Base interactions energy: -367.991
where: short stacking energy: -167.831
Base-Backbone interact. energy: 0.088
local terms energy: -178.433749
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -35.685
flat angles C4'-P-C4' energy: -37.606
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -45.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -563.416740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.416740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.416740 (E_RNA)
where:
Base-Base interactions energy: -378.397
where: short stacking energy: -171.109
Base-Backbone interact. energy: -0.125
local terms energy: -184.894759
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -37.687
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -47.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -498.027563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.027563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.027563 (E_RNA)
where:
Base-Base interactions energy: -329.742
where: short stacking energy: -160.786
Base-Backbone interact. energy: -1.102
local terms energy: -167.183892
where:
bonds (distance) C4'-P energy: -27.368
bonds (distance) P-C4' energy: -36.472
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -38.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -501.345121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.345121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.345121 (E_RNA)
where:
Base-Base interactions energy: -324.410
where: short stacking energy: -161.673
Base-Backbone interact. energy: -0.229
local terms energy: -176.706630
where:
bonds (distance) C4'-P energy: -34.351
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -32.674
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -47.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -440.737653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.737653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.737653 (E_RNA)
where:
Base-Base interactions energy: -297.520
where: short stacking energy: -147.400
Base-Backbone interact. energy: -0.758
local terms energy: -142.459328
where:
bonds (distance) C4'-P energy: -29.079
bonds (distance) P-C4' energy: -32.249
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -33.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -414.862294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.862294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.862294 (E_RNA)
where:
Base-Base interactions energy: -264.892
where: short stacking energy: -118.427
Base-Backbone interact. energy: -0.819
local terms energy: -149.150763
where:
bonds (distance) C4'-P energy: -33.958
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -30.914
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -29.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -324.254973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.254973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.254973 (E_RNA)
where:
Base-Base interactions energy: -209.455
where: short stacking energy: -103.719
Base-Backbone interact. energy: -0.052
local terms energy: -114.747998
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -25.614
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -16.358
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: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -319.779235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.779235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.779235 (E_RNA)
where:
Base-Base interactions energy: -193.246
where: short stacking energy: -91.566
Base-Backbone interact. energy: 0.009
local terms energy: -126.542261
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -34.699
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -26.916
tors. eta vs tors. theta energy: -16.343
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: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -296.661300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.661300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.661300 (E_RNA)
where:
Base-Base interactions energy: -180.006
where: short stacking energy: -83.067
Base-Backbone interact. energy: -0.833
local terms energy: -115.822837
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -164.703958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.703958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.703958 (E_RNA)
where:
Base-Base interactions energy: -60.765
where: short stacking energy: -56.500
Base-Backbone interact. energy: 2.063
local terms energy: -106.002183
where:
bonds (distance) C4'-P energy: -35.273
bonds (distance) P-C4' energy: -27.310
flat angles C4'-P-C4' energy: -25.962
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -8.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -550.674480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.674480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.674480 (E_RNA)
where:
Base-Base interactions energy: -369.316
where: short stacking energy: -175.059
Base-Backbone interact. energy: -0.445
local terms energy: -180.913374
where:
bonds (distance) C4'-P energy: -35.629
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -50.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -556.649854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.649854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.649854 (E_RNA)
where:
Base-Base interactions energy: -370.393
where: short stacking energy: -175.688
Base-Backbone interact. energy: -0.334
local terms energy: -185.923216
where:
bonds (distance) C4'-P energy: -36.481
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -46.097
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: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -497.284929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.284929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.284929 (E_RNA)
where:
Base-Base interactions energy: -330.114
where: short stacking energy: -153.464
Base-Backbone interact. energy: -0.294
local terms energy: -166.876558
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -25.617
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -28.788
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: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -499.900520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.900520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.900520 (E_RNA)
where:
Base-Base interactions energy: -321.180
where: short stacking energy: -167.346
Base-Backbone interact. energy: 0.122
local terms energy: -178.842963
where:
bonds (distance) C4'-P energy: -27.869
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -40.130
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -50.999
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: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -441.307066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.307066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.307066 (E_RNA)
where:
Base-Base interactions energy: -282.170
where: short stacking energy: -128.676
Base-Backbone interact. energy: -0.651
local terms energy: -158.485991
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -36.581
flat angles C4'-P-C4' energy: -37.671
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -26.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -404.381655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.381655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.381655 (E_RNA)
where:
Base-Base interactions energy: -253.445
where: short stacking energy: -110.385
Base-Backbone interact. energy: -0.732
local terms energy: -150.204202
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -36.417
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -26.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -330.285424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.285424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.285424 (E_RNA)
where:
Base-Base interactions energy: -203.568
where: short stacking energy: -104.346
Base-Backbone interact. energy: -0.504
local terms energy: -126.213383
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -35.079
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -23.469
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: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -325.115357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.115357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.115357 (E_RNA)
where:
Base-Base interactions energy: -209.948
where: short stacking energy: -107.873
Base-Backbone interact. energy: 1.506
local terms energy: -116.673147
where:
bonds (distance) C4'-P energy: -28.024
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -32.434
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -15.304
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: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -314.532873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.532873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.532873 (E_RNA)
where:
Base-Base interactions energy: -182.979
where: short stacking energy: -91.953
Base-Backbone interact. energy: -0.434
local terms energy: -131.119578
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -38.230
flat angles C4'-P-C4' energy: -32.039
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -169.155201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.155201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.155201 (E_RNA)
where:
Base-Base interactions energy: -53.681
where: short stacking energy: -54.738
Base-Backbone interact. energy: 0.491
local terms energy: -115.965124
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -26.172
flat angles P-C4'-P energy: -21.652
tors. eta vs tors. theta energy: -2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -554.034898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.034898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.034898 (E_RNA)
where:
Base-Base interactions energy: -365.643
where: short stacking energy: -179.137
Base-Backbone interact. energy: -0.442
local terms energy: -187.950538
where:
bonds (distance) C4'-P energy: -39.301
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -28.329
tors. eta vs tors. theta energy: -49.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -553.570060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.570060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.570060 (E_RNA)
where:
Base-Base interactions energy: -363.577
where: short stacking energy: -177.206
Base-Backbone interact. energy: -0.245
local terms energy: -189.748471
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -40.521
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -45.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -538.351279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.351279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.351279 (E_RNA)
where:
Base-Base interactions energy: -353.811
where: short stacking energy: -191.360
Base-Backbone interact. energy: -0.389
local terms energy: -184.151587
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -35.104
flat angles P-C4'-P energy: -29.619
tors. eta vs tors. theta energy: -54.282
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: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -487.718186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.718186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.718186 (E_RNA)
where:
Base-Base interactions energy: -319.755
where: short stacking energy: -154.293
Base-Backbone interact. energy: -0.374
local terms energy: -167.589006
where:
bonds (distance) C4'-P energy: -35.759
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -39.550
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -40.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -438.690193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.690193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.690193 (E_RNA)
where:
Base-Base interactions energy: -294.588
where: short stacking energy: -138.933
Base-Backbone interact. energy: 0.663
local terms energy: -144.764910
where:
bonds (distance) C4'-P energy: -35.329
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: -30.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -404.544466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.544466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.544466 (E_RNA)
where:
Base-Base interactions energy: -262.449
where: short stacking energy: -135.544
Base-Backbone interact. energy: -0.334
local terms energy: -141.761282
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -33.384
flat angles C4'-P-C4' energy: -35.317
flat angles P-C4'-P energy: -21.265
tors. eta vs tors. theta energy: -27.942
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: 220
Temperature: 1.200000
Total energy: -336.324115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.324115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.324115 (E_RNA)
where:
Base-Base interactions energy: -205.960
where: short stacking energy: -101.886
Base-Backbone interact. energy: -0.745
local terms energy: -129.618524
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -37.718
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -18.356
tors. eta vs tors. theta energy: -20.025
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: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -296.367997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.367997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.367997 (E_RNA)
where:
Base-Base interactions energy: -198.508
where: short stacking energy: -80.247
Base-Backbone interact. energy: -0.549
local terms energy: -97.310241
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -18.582
tors. eta vs tors. theta energy: -4.846
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: 220
Temperature: 1.300000
Total energy: -297.447505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.447505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.447505 (E_RNA)
where:
Base-Base interactions energy: -167.885
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.379
local terms energy: -129.183579
where:
bonds (distance) C4'-P energy: -36.144
bonds (distance) P-C4' energy: -29.489
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -24.066
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -169.836236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.836236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.836236 (E_RNA)
where:
Base-Base interactions energy: -69.132
where: short stacking energy: -56.019
Base-Backbone interact. energy: 1.547
local terms energy: -102.250984
where:
bonds (distance) C4'-P energy: -36.413
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -563.823947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.823947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.823947 (E_RNA)
where:
Base-Base interactions energy: -381.934
where: short stacking energy: -185.871
Base-Backbone interact. energy: -0.518
local terms energy: -181.371108
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -47.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -557.298716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.298716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.298716 (E_RNA)
where:
Base-Base interactions energy: -368.623
where: short stacking energy: -189.328
Base-Backbone interact. energy: -0.771
local terms energy: -187.905175
where:
bonds (distance) C4'-P energy: -35.044
bonds (distance) P-C4' energy: -38.671
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -52.706
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: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -525.393786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.393786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.393786 (E_RNA)
where:
Base-Base interactions energy: -343.869
where: short stacking energy: -174.478
Base-Backbone interact. energy: -0.377
local terms energy: -181.147358
where:
bonds (distance) C4'-P energy: -35.689
bonds (distance) P-C4' energy: -37.123
flat angles C4'-P-C4' energy: -39.966
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -49.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -518.420258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.420258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.420258 (E_RNA)
where:
Base-Base interactions energy: -342.464
where: short stacking energy: -170.088
Base-Backbone interact. energy: -0.748
local terms energy: -175.208163
where:
bonds (distance) C4'-P energy: -35.773
bonds (distance) P-C4' energy: -32.762
flat angles C4'-P-C4' energy: -32.136
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -49.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -453.706233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.706233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.706233 (E_RNA)
where:
Base-Base interactions energy: -301.883
where: short stacking energy: -127.735
Base-Backbone interact. energy: -0.796
local terms energy: -151.026726
where:
bonds (distance) C4'-P energy: -28.153
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -32.444
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -31.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -406.960422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.960422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.960422 (E_RNA)
where:
Base-Base interactions energy: -266.542
where: short stacking energy: -127.965
Base-Backbone interact. energy: -0.583
local terms energy: -139.835514
where:
bonds (distance) C4'-P energy: -29.050
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -339.676348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.676348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.676348 (E_RNA)
where:
Base-Base interactions energy: -204.141
where: short stacking energy: -92.272
Base-Backbone interact. energy: -0.577
local terms energy: -134.958433
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -300.477232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.477232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.477232 (E_RNA)
where:
Base-Base interactions energy: -186.637
where: short stacking energy: -86.879
Base-Backbone interact. energy: -0.472
local terms energy: -113.367884
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -289.043511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.043511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.043511 (E_RNA)
where:
Base-Base interactions energy: -172.197
where: short stacking energy: -92.161
Base-Backbone interact. energy: -0.449
local terms energy: -116.397024
where:
bonds (distance) C4'-P energy: -25.712
bonds (distance) P-C4' energy: -30.303
flat angles C4'-P-C4' energy: -35.152
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -12.898
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: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -167.953136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.953136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.953136 (E_RNA)
where:
Base-Base interactions energy: -58.704
where: short stacking energy: -58.704
Base-Backbone interact. energy: 0.933
local terms energy: -110.181637
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -26.485
flat angles C4'-P-C4' energy: -27.101
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -8.791
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: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -558.034219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.034219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.034219 (E_RNA)
where:
Base-Base interactions energy: -376.358
where: short stacking energy: -177.042
Base-Backbone interact. energy: -0.090
local terms energy: -181.586275
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -35.655
flat angles C4'-P-C4' energy: -35.346
flat angles P-C4'-P energy: -28.858
tors. eta vs tors. theta energy: -48.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -536.716656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.716656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.716656 (E_RNA)
where:
Base-Base interactions energy: -364.242
where: short stacking energy: -174.241
Base-Backbone interact. energy: 0.659
local terms energy: -173.133208
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -39.706
flat angles P-C4'-P energy: -25.709
tors. eta vs tors. theta energy: -47.765
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: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -515.062148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.062148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.062148 (E_RNA)
where:
Base-Base interactions energy: -343.652
where: short stacking energy: -159.387
Base-Backbone interact. energy: -0.235
local terms energy: -171.175480
where:
bonds (distance) C4'-P energy: -31.214
bonds (distance) P-C4' energy: -34.113
flat angles C4'-P-C4' energy: -31.514
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -44.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -482.065980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.065980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.065980 (E_RNA)
where:
Base-Base interactions energy: -314.688
where: short stacking energy: -160.350
Base-Backbone interact. energy: 0.427
local terms energy: -167.805277
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -39.580
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -46.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -419.733791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.733791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.733791 (E_RNA)
where:
Base-Base interactions energy: -270.733
where: short stacking energy: -137.029
Base-Backbone interact. energy: 1.431
local terms energy: -150.431602
where:
bonds (distance) C4'-P energy: -31.325
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -35.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -407.652560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.652560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.652560 (E_RNA)
where:
Base-Base interactions energy: -271.199
where: short stacking energy: -124.829
Base-Backbone interact. energy: 0.382
local terms energy: -136.834772
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -26.396
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -25.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -299.896297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.896297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.896297 (E_RNA)
where:
Base-Base interactions energy: -179.387
where: short stacking energy: -86.907
Base-Backbone interact. energy: -0.763
local terms energy: -119.746191
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -31.142
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -344.825732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.825732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.825732 (E_RNA)
where:
Base-Base interactions energy: -209.133
where: short stacking energy: -104.741
Base-Backbone interact. energy: -0.384
local terms energy: -135.308757
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -26.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -296.951788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.951788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.951788 (E_RNA)
where:
Base-Base interactions energy: -189.058
where: short stacking energy: -86.651
Base-Backbone interact. energy: -0.324
local terms energy: -107.569612
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -5.242
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: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -167.947324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.947324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.947324 (E_RNA)
where:
Base-Base interactions energy: -66.040
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.419
local terms energy: -101.488972
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -4.167
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: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -579.025554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.025554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.025554 (E_RNA)
where:
Base-Base interactions energy: -380.608
where: short stacking energy: -190.981
Base-Backbone interact. energy: -0.482
local terms energy: -197.935071
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -40.961
flat angles C4'-P-C4' energy: -37.798
flat angles P-C4'-P energy: -28.493
tors. eta vs tors. theta energy: -54.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -541.370529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.370529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.370529 (E_RNA)
where:
Base-Base interactions energy: -362.444
where: short stacking energy: -182.331
Base-Backbone interact. energy: 3.615
local terms energy: -182.541709
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -38.180
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -51.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -518.066880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.066880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.066880 (E_RNA)
where:
Base-Base interactions energy: -337.924
where: short stacking energy: -158.513
Base-Backbone interact. energy: -1.130
local terms energy: -179.013205
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -32.018
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -48.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -464.139332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.139332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.139332 (E_RNA)
where:
Base-Base interactions energy: -306.163
where: short stacking energy: -145.421
Base-Backbone interact. energy: -1.532
local terms energy: -156.444496
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -21.508
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: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -464.668749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.668749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.668749 (E_RNA)
where:
Base-Base interactions energy: -312.014
where: short stacking energy: -152.566
Base-Backbone interact. energy: -0.181
local terms energy: -152.474416
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -30.732
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -20.770
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: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -448.343855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.343855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.343855 (E_RNA)
where:
Base-Base interactions energy: -306.112
where: short stacking energy: -123.321
Base-Backbone interact. energy: -0.851
local terms energy: -141.380169
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -30.751
flat angles P-C4'-P energy: -23.675
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: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -355.235711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.235711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.235711 (E_RNA)
where:
Base-Base interactions energy: -229.014
where: short stacking energy: -111.510
Base-Backbone interact. energy: 1.213
local terms energy: -127.435057
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -23.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -314.299742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.299742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.299742 (E_RNA)
where:
Base-Base interactions energy: -180.902
where: short stacking energy: -94.402
Base-Backbone interact. energy: 1.794
local terms energy: -135.192263
where:
bonds (distance) C4'-P energy: -35.969
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -302.213625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.213625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.213625 (E_RNA)
where:
Base-Base interactions energy: -195.483
where: short stacking energy: -92.468
Base-Backbone interact. energy: -0.239
local terms energy: -106.490823
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -22.572
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -16.748
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: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -235.907254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.907254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.907254 (E_RNA)
where:
Base-Base interactions energy: -129.453
where: short stacking energy: -83.716
Base-Backbone interact. energy: -1.022
local terms energy: -105.431641
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -551.010619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.010619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.010619 (E_RNA)
where:
Base-Base interactions energy: -365.246
where: short stacking energy: -191.376
Base-Backbone interact. energy: -0.509
local terms energy: -185.255138
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -36.869
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -21.792
tors. eta vs tors. theta energy: -56.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -562.005673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.005673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.005673 (E_RNA)
where:
Base-Base interactions energy: -375.595
where: short stacking energy: -182.174
Base-Backbone interact. energy: 0.901
local terms energy: -187.311198
where:
bonds (distance) C4'-P energy: -36.112
bonds (distance) P-C4' energy: -35.253
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -53.821
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -536.189792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.189792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.189792 (E_RNA)
where:
Base-Base interactions energy: -358.949
where: short stacking energy: -181.107
Base-Backbone interact. energy: -0.129
local terms energy: -177.112122
where:
bonds (distance) C4'-P energy: -34.243
bonds (distance) P-C4' energy: -37.502
flat angles C4'-P-C4' energy: -39.724
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -47.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -459.373406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.373406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.373406 (E_RNA)
where:
Base-Base interactions energy: -302.923
where: short stacking energy: -160.230
Base-Backbone interact. energy: -1.063
local terms energy: -155.387704
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -27.582
flat angles C4'-P-C4' energy: -31.639
flat angles P-C4'-P energy: -23.903
tors. eta vs tors. theta energy: -39.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -446.738099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.738099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.738099 (E_RNA)
where:
Base-Base interactions energy: -280.366
where: short stacking energy: -134.290
Base-Backbone interact. energy: -0.283
local terms energy: -166.089181
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -31.931
flat angles C4'-P-C4' energy: -39.102
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -35.781
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: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -463.099516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.099516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.099516 (E_RNA)
where:
Base-Base interactions energy: -311.961
where: short stacking energy: -155.644
Base-Backbone interact. energy: 0.375
local terms energy: -151.512995
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -18.292
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: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -354.941942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.941942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.941942 (E_RNA)
where:
Base-Base interactions energy: -216.959
where: short stacking energy: -97.167
Base-Backbone interact. energy: -0.388
local terms energy: -137.594963
where:
bonds (distance) C4'-P energy: -27.609
bonds (distance) P-C4' energy: -31.904
flat angles C4'-P-C4' energy: -36.488
flat angles P-C4'-P energy: -28.142
tors. eta vs tors. theta energy: -13.451
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: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -311.381972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.381972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.381972 (E_RNA)
where:
Base-Base interactions energy: -189.890
where: short stacking energy: -103.288
Base-Backbone interact. energy: -1.723
local terms energy: -119.768894
where:
bonds (distance) C4'-P energy: -26.425
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -18.988
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -297.052491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.052491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.052491 (E_RNA)
where:
Base-Base interactions energy: -180.056
where: short stacking energy: -90.401
Base-Backbone interact. energy: -0.987
local terms energy: -116.009550
where:
bonds (distance) C4'-P energy: -31.438
bonds (distance) P-C4' energy: -30.922
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -13.206
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: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -228.488465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.488465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.488465 (E_RNA)
where:
Base-Base interactions energy: -136.492
where: short stacking energy: -78.683
Base-Backbone interact. energy: 0.125
local terms energy: -92.121810
where:
bonds (distance) C4'-P energy: -30.338
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -9.105
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: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -541.579545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.579545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.579545 (E_RNA)
where:
Base-Base interactions energy: -354.701
where: short stacking energy: -167.807
Base-Backbone interact. energy: -0.509
local terms energy: -186.370309
where:
bonds (distance) C4'-P energy: -39.056
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -39.041
flat angles P-C4'-P energy: -22.278
tors. eta vs tors. theta energy: -50.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -554.245747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.245747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.245747 (E_RNA)
where:
Base-Base interactions energy: -371.877
where: short stacking energy: -178.491
Base-Backbone interact. energy: 0.706
local terms energy: -183.074777
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -30.916
flat angles C4'-P-C4' energy: -42.242
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -44.089
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: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -498.200987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.200987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.200987 (E_RNA)
where:
Base-Base interactions energy: -329.231
where: short stacking energy: -149.885
Base-Backbone interact. energy: 0.481
local terms energy: -169.451216
where:
bonds (distance) C4'-P energy: -34.203
bonds (distance) P-C4' energy: -33.736
flat angles C4'-P-C4' energy: -36.176
flat angles P-C4'-P energy: -26.495
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: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -482.128773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.128773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.128773 (E_RNA)
where:
Base-Base interactions energy: -315.819
where: short stacking energy: -154.732
Base-Backbone interact. energy: -1.366
local terms energy: -164.943513
where:
bonds (distance) C4'-P energy: -31.161
bonds (distance) P-C4' energy: -36.317
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -38.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -434.619282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.619282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.619282 (E_RNA)
where:
Base-Base interactions energy: -290.605
where: short stacking energy: -134.885
Base-Backbone interact. energy: -0.972
local terms energy: -143.042077
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -30.308
flat angles C4'-P-C4' energy: -32.213
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -455.818104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.818104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.818104 (E_RNA)
where:
Base-Base interactions energy: -306.822
where: short stacking energy: -143.245
Base-Backbone interact. energy: -1.368
local terms energy: -147.627722
where:
bonds (distance) C4'-P energy: -29.534
bonds (distance) P-C4' energy: -28.775
flat angles C4'-P-C4' energy: -35.085
flat angles P-C4'-P energy: -18.708
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: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -369.971008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.971008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.971008 (E_RNA)
where:
Base-Base interactions energy: -249.847
where: short stacking energy: -124.945
Base-Backbone interact. energy: -0.619
local terms energy: -119.505063
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -329.397916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.397916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.397916 (E_RNA)
where:
Base-Base interactions energy: -202.940
where: short stacking energy: -99.328
Base-Backbone interact. energy: 2.224
local terms energy: -128.681459
where:
bonds (distance) C4'-P energy: -29.040
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -28.150
flat angles P-C4'-P energy: -25.255
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: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -315.356987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.356987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.356987 (E_RNA)
where:
Base-Base interactions energy: -202.323
where: short stacking energy: -98.766
Base-Backbone interact. energy: -0.936
local terms energy: -112.097691
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -19.367
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: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -226.830659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.830659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.830659 (E_RNA)
where:
Base-Base interactions energy: -121.708
where: short stacking energy: -67.148
Base-Backbone interact. energy: -0.294
local terms energy: -104.829047
where:
bonds (distance) C4'-P energy: -25.506
bonds (distance) P-C4' energy: -32.692
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -6.213
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: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -559.189726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.189726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.189726 (E_RNA)
where:
Base-Base interactions energy: -367.975
where: short stacking energy: -179.716
Base-Backbone interact. energy: -0.045
local terms energy: -191.170125
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -35.939
flat angles C4'-P-C4' energy: -41.793
flat angles P-C4'-P energy: -31.087
tors. eta vs tors. theta energy: -50.555
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: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -536.124442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.124442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.124442 (E_RNA)
where:
Base-Base interactions energy: -345.911
where: short stacking energy: -166.075
Base-Backbone interact. energy: -0.256
local terms energy: -189.957805
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -35.432
flat angles P-C4'-P energy: -32.909
tors. eta vs tors. theta energy: -50.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -531.080334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.080334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.080334 (E_RNA)
where:
Base-Base interactions energy: -357.258
where: short stacking energy: -169.332
Base-Backbone interact. energy: 0.043
local terms energy: -173.865543
where:
bonds (distance) C4'-P energy: -40.455
bonds (distance) P-C4' energy: -27.243
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -46.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -461.277173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.277173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.277173 (E_RNA)
where:
Base-Base interactions energy: -291.949
where: short stacking energy: -148.557
Base-Backbone interact. energy: -0.498
local terms energy: -168.830396
where:
bonds (distance) C4'-P energy: -32.869
bonds (distance) P-C4' energy: -33.366
flat angles C4'-P-C4' energy: -38.695
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -32.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -462.585023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.585023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.585023 (E_RNA)
where:
Base-Base interactions energy: -301.090
where: short stacking energy: -152.967
Base-Backbone interact. energy: -0.138
local terms energy: -161.357463
where:
bonds (distance) C4'-P energy: -32.349
bonds (distance) P-C4' energy: -34.117
flat angles C4'-P-C4' energy: -31.208
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -42.486
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: 6, replica: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -428.279537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.279537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.279537 (E_RNA)
where:
Base-Base interactions energy: -280.377
where: short stacking energy: -133.745
Base-Backbone interact. energy: -1.054
local terms energy: -146.848251
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -34.249
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -28.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -387.758833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.758833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.758833 (E_RNA)
where:
Base-Base interactions energy: -246.638
where: short stacking energy: -120.939
Base-Backbone interact. energy: 1.460
local terms energy: -142.581475
where:
bonds (distance) C4'-P energy: -34.440
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -302.128874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.128874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.128874 (E_RNA)
where:
Base-Base interactions energy: -182.834
where: short stacking energy: -91.330
Base-Backbone interact. energy: -0.456
local terms energy: -118.838199
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -31.326
flat angles C4'-P-C4' energy: -26.165
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -237.063658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.063658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.063658 (E_RNA)
where:
Base-Base interactions energy: -124.469
where: short stacking energy: -69.891
Base-Backbone interact. energy: -0.580
local terms energy: -112.014360
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -38.719
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -303.719208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.719208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.719208 (E_RNA)
where:
Base-Base interactions energy: -186.127
where: short stacking energy: -90.447
Base-Backbone interact. energy: -0.461
local terms energy: -117.130325
where:
bonds (distance) C4'-P energy: -26.348
bonds (distance) P-C4' energy: -32.307
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -582.321801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.321801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.321801 (E_RNA)
where:
Base-Base interactions energy: -394.285
where: short stacking energy: -194.185
Base-Backbone interact. energy: 0.365
local terms energy: -188.401628
where:
bonds (distance) C4'-P energy: -30.394
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -41.655
flat angles P-C4'-P energy: -28.103
tors. eta vs tors. theta energy: -54.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -535.778781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.778781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.778781 (E_RNA)
where:
Base-Base interactions energy: -356.483
where: short stacking energy: -176.484
Base-Backbone interact. energy: -0.265
local terms energy: -179.031399
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -32.649
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -49.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -527.168175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.168175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.168175 (E_RNA)
where:
Base-Base interactions energy: -358.010
where: short stacking energy: -170.764
Base-Backbone interact. energy: -0.682
local terms energy: -168.476559
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -38.580
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -41.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -471.493448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.493448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.493448 (E_RNA)
where:
Base-Base interactions energy: -315.639
where: short stacking energy: -139.744
Base-Backbone interact. energy: -0.476
local terms energy: -155.378964
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -36.895
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -37.725
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -440.486331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.486331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.486331 (E_RNA)
where:
Base-Base interactions energy: -296.612
where: short stacking energy: -126.740
Base-Backbone interact. energy: -0.417
local terms energy: -143.457123
where:
bonds (distance) C4'-P energy: -27.424
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -29.828
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -28.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -416.905964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.905964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.905964 (E_RNA)
where:
Base-Base interactions energy: -280.695
where: short stacking energy: -136.036
Base-Backbone interact. energy: 3.246
local terms energy: -139.457259
where:
bonds (distance) C4'-P energy: -24.140
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -395.570154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.570154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.570154 (E_RNA)
where:
Base-Base interactions energy: -247.439
where: short stacking energy: -114.641
Base-Backbone interact. energy: 1.121
local terms energy: -149.251451
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -33.657
flat angles C4'-P-C4' energy: -31.350
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -31.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -311.851723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.851723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.851723 (E_RNA)
where:
Base-Base interactions energy: -199.108
where: short stacking energy: -81.972
Base-Backbone interact. energy: 0.694
local terms energy: -113.438535
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -7.556
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -226.177209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.177209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.177209 (E_RNA)
where:
Base-Base interactions energy: -113.867
where: short stacking energy: -70.389
Base-Backbone interact. energy: -0.251
local terms energy: -112.058839
where:
bonds (distance) C4'-P energy: -33.842
bonds (distance) P-C4' energy: -34.082
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -5.101
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: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -317.389302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.389302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.389302 (E_RNA)
where:
Base-Base interactions energy: -186.942
where: short stacking energy: -95.582
Base-Backbone interact. energy: -1.159
local terms energy: -129.288672
where:
bonds (distance) C4'-P energy: -25.820
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -33.618
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -19.486
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: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -552.866213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.866213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.866213 (E_RNA)
where:
Base-Base interactions energy: -370.777
where: short stacking energy: -183.034
Base-Backbone interact. energy: -0.541
local terms energy: -181.548354
where:
bonds (distance) C4'-P energy: -28.833
bonds (distance) P-C4' energy: -36.597
flat angles C4'-P-C4' energy: -38.923
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -51.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -566.166296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.166296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.166296 (E_RNA)
where:
Base-Base interactions energy: -380.266
where: short stacking energy: -180.448
Base-Backbone interact. energy: -0.174
local terms energy: -185.725510
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -40.899
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -53.160
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: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -530.249445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.249445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.249445 (E_RNA)
where:
Base-Base interactions energy: -359.521
where: short stacking energy: -184.231
Base-Backbone interact. energy: -0.197
local terms energy: -170.531799
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -29.030
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -51.200
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: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -509.914537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.914537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.914537 (E_RNA)
where:
Base-Base interactions energy: -340.167
where: short stacking energy: -159.557
Base-Backbone interact. energy: -0.372
local terms energy: -169.375633
where:
bonds (distance) C4'-P energy: -24.090
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -37.095
flat angles P-C4'-P energy: -25.173
tors. eta vs tors. theta energy: -45.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -453.028701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.028701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.028701 (E_RNA)
where:
Base-Base interactions energy: -297.246
where: short stacking energy: -138.189
Base-Backbone interact. energy: -0.658
local terms energy: -155.125500
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -34.264
flat angles C4'-P-C4' energy: -36.796
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -37.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -373.973548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.973548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.973548 (E_RNA)
where:
Base-Base interactions energy: -221.822
where: short stacking energy: -118.307
Base-Backbone interact. energy: -0.404
local terms energy: -151.747270
where:
bonds (distance) C4'-P energy: -31.648
bonds (distance) P-C4' energy: -36.533
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -29.694
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: 228
Temperature: 1.200000
Total energy: -381.006871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.006871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.006871 (E_RNA)
where:
Base-Base interactions energy: -248.729
where: short stacking energy: -112.040
Base-Backbone interact. energy: -1.058
local terms energy: -131.219850
where:
bonds (distance) C4'-P energy: -27.913
bonds (distance) P-C4' energy: -34.299
flat angles C4'-P-C4' energy: -29.237
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -19.794
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: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -313.768456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.768456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.768456 (E_RNA)
where:
Base-Base interactions energy: -194.543
where: short stacking energy: -108.481
Base-Backbone interact. energy: -0.442
local terms energy: -118.783313
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -29.237
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -294.878508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.878508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.878508 (E_RNA)
where:
Base-Base interactions energy: -167.811
where: short stacking energy: -82.384
Base-Backbone interact. energy: -0.319
local terms energy: -126.748789
where:
bonds (distance) C4'-P energy: -34.658
bonds (distance) P-C4' energy: -28.759
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -225.749397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.749397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.749397 (E_RNA)
where:
Base-Base interactions energy: -119.849
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.323
local terms energy: -105.578299
where:
bonds (distance) C4'-P energy: -27.080
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -543.596212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.596212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.596212 (E_RNA)
where:
Base-Base interactions energy: -352.097
where: short stacking energy: -169.675
Base-Backbone interact. energy: -0.226
local terms energy: -191.273097
where:
bonds (distance) C4'-P energy: -38.899
bonds (distance) P-C4' energy: -36.409
flat angles C4'-P-C4' energy: -40.344
flat angles P-C4'-P energy: -27.898
tors. eta vs tors. theta energy: -47.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -561.523933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.523933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.523933 (E_RNA)
where:
Base-Base interactions energy: -370.777
where: short stacking energy: -187.694
Base-Backbone interact. energy: -0.252
local terms energy: -190.495803
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -41.590
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: -52.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -529.023658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.023658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.023658 (E_RNA)
where:
Base-Base interactions energy: -349.385
where: short stacking energy: -183.825
Base-Backbone interact. energy: -0.071
local terms energy: -179.567641
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -55.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -504.290582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.290582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.290582 (E_RNA)
where:
Base-Base interactions energy: -353.559
where: short stacking energy: -162.264
Base-Backbone interact. energy: -0.978
local terms energy: -149.754274
where:
bonds (distance) C4'-P energy: -28.416
bonds (distance) P-C4' energy: -27.914
flat angles C4'-P-C4' energy: -34.900
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -41.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -451.421567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.421567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.421567 (E_RNA)
where:
Base-Base interactions energy: -304.171
where: short stacking energy: -144.131
Base-Backbone interact. energy: 1.644
local terms energy: -148.894073
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -28.373
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: -35.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -351.801927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.801927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.801927 (E_RNA)
where:
Base-Base interactions energy: -211.677
where: short stacking energy: -110.815
Base-Backbone interact. energy: 0.294
local terms energy: -140.418965
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -34.534
flat angles C4'-P-C4' energy: -27.825
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -316.166539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.166539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.166539 (E_RNA)
where:
Base-Base interactions energy: -192.415
where: short stacking energy: -99.768
Base-Backbone interact. energy: -0.892
local terms energy: -122.859578
where:
bonds (distance) C4'-P energy: -27.807
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -24.858
tors. eta vs tors. theta energy: -12.566
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: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -336.811386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.811386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.811386 (E_RNA)
where:
Base-Base interactions energy: -205.479
where: short stacking energy: -105.337
Base-Backbone interact. energy: -0.198
local terms energy: -131.134573
where:
bonds (distance) C4'-P energy: -29.835
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -33.533
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -26.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -299.264507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.264507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.264507 (E_RNA)
where:
Base-Base interactions energy: -173.264
where: short stacking energy: -89.709
Base-Backbone interact. energy: -0.314
local terms energy: -125.686789
where:
bonds (distance) C4'-P energy: -31.996
bonds (distance) P-C4' energy: -29.898
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -15.496
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: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -227.889297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.889297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.889297 (E_RNA)
where:
Base-Base interactions energy: -113.767
where: short stacking energy: -64.246
Base-Backbone interact. energy: 2.570
local terms energy: -116.692108
where:
bonds (distance) C4'-P energy: -29.652
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -36.833
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -554.237045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.237045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.237045 (E_RNA)
where:
Base-Base interactions energy: -375.880
where: short stacking energy: -177.107
Base-Backbone interact. energy: -0.307
local terms energy: -178.050012
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -39.731
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -53.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -536.225739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.225739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.225739 (E_RNA)
where:
Base-Base interactions energy: -354.688
where: short stacking energy: -173.238
Base-Backbone interact. energy: -1.542
local terms energy: -179.995440
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -38.550
flat angles C4'-P-C4' energy: -37.344
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -48.919
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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -501.407375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.407375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.407375 (E_RNA)
where:
Base-Base interactions energy: -335.205
where: short stacking energy: -139.397
Base-Backbone interact. energy: -1.795
local terms energy: -164.408145
where:
bonds (distance) C4'-P energy: -35.595
bonds (distance) P-C4' energy: -32.857
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -36.087
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: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -504.331503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.331503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.331503 (E_RNA)
where:
Base-Base interactions energy: -327.465
where: short stacking energy: -158.365
Base-Backbone interact. energy: -0.345
local terms energy: -176.520988
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -42.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -439.454761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.454761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.454761 (E_RNA)
where:
Base-Base interactions energy: -287.323
where: short stacking energy: -136.627
Base-Backbone interact. energy: -0.320
local terms energy: -151.811945
where:
bonds (distance) C4'-P energy: -31.179
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -39.390
flat angles P-C4'-P energy: -25.792
tors. eta vs tors. theta energy: -30.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -334.708377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.708377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.708377 (E_RNA)
where:
Base-Base interactions energy: -198.300
where: short stacking energy: -109.006
Base-Backbone interact. energy: -0.726
local terms energy: -135.682315
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -40.919
flat angles C4'-P-C4' energy: -24.037
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -342.248585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.248585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.248585 (E_RNA)
where:
Base-Base interactions energy: -203.854
where: short stacking energy: -103.898
Base-Backbone interact. energy: -0.196
local terms energy: -138.198664
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -25.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -325.675586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.675586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.675586 (E_RNA)
where:
Base-Base interactions energy: -197.639
where: short stacking energy: -94.912
Base-Backbone interact. energy: -3.486
local terms energy: -124.550931
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -34.931
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -19.722
tors. eta vs tors. theta energy: -15.149
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: 230
Temperature: 1.300000
Total energy: -305.572423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.572423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.572423 (E_RNA)
where:
Base-Base interactions energy: -186.294
where: short stacking energy: -83.411
Base-Backbone interact. energy: -0.865
local terms energy: -118.413671
where:
bonds (distance) C4'-P energy: -30.900
bonds (distance) P-C4' energy: -35.085
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -11.013
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: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -238.609214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.609214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.609214 (E_RNA)
where:
Base-Base interactions energy: -128.078
where: short stacking energy: -71.943
Base-Backbone interact. energy: -0.128
local terms energy: -110.403286
where:
bonds (distance) C4'-P energy: -26.605
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -575.811905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.811905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.811905 (E_RNA)
where:
Base-Base interactions energy: -378.615
where: short stacking energy: -186.147
Base-Backbone interact. energy: -0.904
local terms energy: -196.292701
where:
bonds (distance) C4'-P energy: -37.916
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -42.029
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -54.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -547.488779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.488779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.488779 (E_RNA)
where:
Base-Base interactions energy: -374.258
where: short stacking energy: -178.092
Base-Backbone interact. energy: -0.354
local terms energy: -172.877131
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -38.365
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: -43.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -520.246878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.246878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.246878 (E_RNA)
where:
Base-Base interactions energy: -351.006
where: short stacking energy: -171.216
Base-Backbone interact. energy: -0.099
local terms energy: -169.141907
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -38.146
flat angles C4'-P-C4' energy: -34.937
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -47.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -465.557043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.557043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.557043 (E_RNA)
where:
Base-Base interactions energy: -309.410
where: short stacking energy: -157.592
Base-Backbone interact. energy: 1.903
local terms energy: -158.049934
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -33.910
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -39.037
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: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -493.068654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.068654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.068654 (E_RNA)
where:
Base-Base interactions energy: -329.377
where: short stacking energy: -163.328
Base-Backbone interact. energy: -0.580
local terms energy: -163.111983
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -47.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -361.112042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.112042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.112042 (E_RNA)
where:
Base-Base interactions energy: -222.782
where: short stacking energy: -97.615
Base-Backbone interact. energy: -0.376
local terms energy: -137.953884
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -33.257
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -29.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -348.477790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.477790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.477790 (E_RNA)
where:
Base-Base interactions energy: -223.183
where: short stacking energy: -109.900
Base-Backbone interact. energy: 0.812
local terms energy: -126.107286
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -24.060
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: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -316.410854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.410854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.410854 (E_RNA)
where:
Base-Base interactions energy: -199.935
where: short stacking energy: -97.180
Base-Backbone interact. energy: -0.286
local terms energy: -116.189452
where:
bonds (distance) C4'-P energy: -27.323
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -310.770764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.770764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.770764 (E_RNA)
where:
Base-Base interactions energy: -201.475
where: short stacking energy: -96.258
Base-Backbone interact. energy: 0.614
local terms energy: -109.909425
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -27.648
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -219.717774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.717774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.717774 (E_RNA)
where:
Base-Base interactions energy: -120.735
where: short stacking energy: -73.078
Base-Backbone interact. energy: 3.331
local terms energy: -102.313593
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -31.651
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -3.338
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: 232
Temperature: 0.900000
Total energy: -539.420268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.420268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.420268 (E_RNA)
where:
Base-Base interactions energy: -351.770
where: short stacking energy: -169.338
Base-Backbone interact. energy: -0.533
local terms energy: -187.116585
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -37.551
flat angles C4'-P-C4' energy: -40.772
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -46.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -561.422221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.422221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.422221 (E_RNA)
where:
Base-Base interactions energy: -374.069
where: short stacking energy: -178.777
Base-Backbone interact. energy: 0.423
local terms energy: -187.775930
where:
bonds (distance) C4'-P energy: -30.675
bonds (distance) P-C4' energy: -38.476
flat angles C4'-P-C4' energy: -37.696
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -52.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -523.801122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.801122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.801122 (E_RNA)
where:
Base-Base interactions energy: -338.485
where: short stacking energy: -167.293
Base-Backbone interact. energy: -0.188
local terms energy: -185.127662
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -38.540
flat angles C4'-P-C4' energy: -41.416
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -45.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -474.125402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.125402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.125402 (E_RNA)
where:
Base-Base interactions energy: -318.533
where: short stacking energy: -139.892
Base-Backbone interact. energy: 0.228
local terms energy: -155.820244
where:
bonds (distance) C4'-P energy: -30.252
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -22.782
tors. eta vs tors. theta energy: -39.048
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: 232
Temperature: 1.100000
Total energy: -460.901143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.901143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.901143 (E_RNA)
where:
Base-Base interactions energy: -312.023
where: short stacking energy: -134.655
Base-Backbone interact. energy: -0.224
local terms energy: -148.653956
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -33.039
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -35.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -392.492462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.492462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.492462 (E_RNA)
where:
Base-Base interactions energy: -254.328
where: short stacking energy: -126.885
Base-Backbone interact. energy: -0.125
local terms energy: -138.039863
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -32.234
flat angles P-C4'-P energy: -25.625
tors. eta vs tors. theta energy: -30.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -335.943323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.943323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.943323 (E_RNA)
where:
Base-Base interactions energy: -193.807
where: short stacking energy: -93.133
Base-Backbone interact. energy: -2.640
local terms energy: -139.496002
where:
bonds (distance) C4'-P energy: -37.045
bonds (distance) P-C4' energy: -33.980
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -314.166593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.166593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.166593 (E_RNA)
where:
Base-Base interactions energy: -199.687
where: short stacking energy: -85.769
Base-Backbone interact. energy: 0.332
local terms energy: -114.811323
where:
bonds (distance) C4'-P energy: -28.171
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -15.626
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: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -301.953706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.953706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.953706 (E_RNA)
where:
Base-Base interactions energy: -176.659
where: short stacking energy: -98.652
Base-Backbone interact. energy: -0.043
local terms energy: -125.251485
where:
bonds (distance) C4'-P energy: -32.527
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -20.496
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: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -247.747956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.747956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.747956 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -59.807
Base-Backbone interact. energy: -1.022
local terms energy: -122.112981
where:
bonds (distance) C4'-P energy: -33.463
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -9.419
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: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -536.931975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.931975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.931975 (E_RNA)
where:
Base-Base interactions energy: -363.240
where: short stacking energy: -162.043
Base-Backbone interact. energy: 0.810
local terms energy: -174.501793
where:
bonds (distance) C4'-P energy: -28.213
bonds (distance) P-C4' energy: -35.341
flat angles C4'-P-C4' energy: -40.042
flat angles P-C4'-P energy: -26.244
tors. eta vs tors. theta energy: -44.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -555.194955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.194955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.194955 (E_RNA)
where:
Base-Base interactions energy: -376.107
where: short stacking energy: -182.614
Base-Backbone interact. energy: -0.066
local terms energy: -179.021295
where:
bonds (distance) C4'-P energy: -32.520
bonds (distance) P-C4' energy: -29.317
flat angles C4'-P-C4' energy: -38.682
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -55.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -526.667194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.667194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.667194 (E_RNA)
where:
Base-Base interactions energy: -342.315
where: short stacking energy: -178.260
Base-Backbone interact. energy: -0.038
local terms energy: -184.314121
where:
bonds (distance) C4'-P energy: -30.272
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -28.472
tors. eta vs tors. theta energy: -54.446
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: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -519.079414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.079414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.079414 (E_RNA)
where:
Base-Base interactions energy: -338.529
where: short stacking energy: -161.622
Base-Backbone interact. energy: -0.139
local terms energy: -180.411387
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -31.880
flat angles C4'-P-C4' energy: -32.565
flat angles P-C4'-P energy: -32.419
tors. eta vs tors. theta energy: -47.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -470.042762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.042762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.042762 (E_RNA)
where:
Base-Base interactions energy: -309.838
where: short stacking energy: -144.297
Base-Backbone interact. energy: -1.130
local terms energy: -159.074442
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -35.309
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -18.230
tors. eta vs tors. theta energy: -39.247
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: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -393.997501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.997501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.997501 (E_RNA)
where:
Base-Base interactions energy: -248.030
where: short stacking energy: -128.165
Base-Backbone interact. energy: -0.604
local terms energy: -145.363800
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -36.881
flat angles C4'-P-C4' energy: -23.304
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -35.356
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: 233
Temperature: 1.200000
Total energy: -343.826861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.826861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.826861 (E_RNA)
where:
Base-Base interactions energy: -209.333
where: short stacking energy: -103.197
Base-Backbone interact. energy: -0.301
local terms energy: -134.192772
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -33.428
flat angles C4'-P-C4' energy: -25.644
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -27.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -313.303960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.303960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.303960 (E_RNA)
where:
Base-Base interactions energy: -189.320
where: short stacking energy: -89.749
Base-Backbone interact. energy: -1.305
local terms energy: -122.679410
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -10.542
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: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -323.867741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.867741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.867741 (E_RNA)
where:
Base-Base interactions energy: -201.219
where: short stacking energy: -104.701
Base-Backbone interact. energy: -0.681
local terms energy: -121.967087
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -32.215
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -225.441605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.441605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.441605 (E_RNA)
where:
Base-Base interactions energy: -119.738
where: short stacking energy: -69.791
Base-Backbone interact. energy: 3.445
local terms energy: -109.148099
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -33.926
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -9.432
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: 234
Temperature: 0.900000
Total energy: -547.310243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.310243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.310243 (E_RNA)
where:
Base-Base interactions energy: -363.009
where: short stacking energy: -176.569
Base-Backbone interact. energy: -0.270
local terms energy: -184.030523
where:
bonds (distance) C4'-P energy: -29.619
bonds (distance) P-C4' energy: -40.108
flat angles C4'-P-C4' energy: -36.239
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -54.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -535.593974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.593974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.593974 (E_RNA)
where:
Base-Base interactions energy: -352.515
where: short stacking energy: -172.397
Base-Backbone interact. energy: -0.743
local terms energy: -182.335989
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -40.033
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -23.370
tors. eta vs tors. theta energy: -50.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -516.235130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.235130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.235130 (E_RNA)
where:
Base-Base interactions energy: -335.347
where: short stacking energy: -167.259
Base-Backbone interact. energy: -0.474
local terms energy: -180.413443
where:
bonds (distance) C4'-P energy: -34.265
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -35.709
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -51.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -510.402415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.402415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.402415 (E_RNA)
where:
Base-Base interactions energy: -335.081
where: short stacking energy: -164.231
Base-Backbone interact. energy: -0.688
local terms energy: -174.632794
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -40.957
flat angles C4'-P-C4' energy: -37.443
flat angles P-C4'-P energy: -22.356
tors. eta vs tors. theta energy: -51.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -452.884887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.884887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.884887 (E_RNA)
where:
Base-Base interactions energy: -297.754
where: short stacking energy: -133.692
Base-Backbone interact. energy: -0.941
local terms energy: -154.188970
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -35.611
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -30.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -426.665918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.665918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.665918 (E_RNA)
where:
Base-Base interactions energy: -276.913
where: short stacking energy: -145.330
Base-Backbone interact. energy: -0.812
local terms energy: -148.940332
where:
bonds (distance) C4'-P energy: -27.577
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -36.639
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -32.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -330.968945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.968945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.968945 (E_RNA)
where:
Base-Base interactions energy: -208.391
where: short stacking energy: -104.959
Base-Backbone interact. energy: -0.322
local terms energy: -122.255790
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -26.290
tors. eta vs tors. theta energy: -17.521
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: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -312.496511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.496511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.496511 (E_RNA)
where:
Base-Base interactions energy: -183.392
where: short stacking energy: -93.699
Base-Backbone interact. energy: 0.418
local terms energy: -129.523013
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -39.853
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -301.227558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.227558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.227558 (E_RNA)
where:
Base-Base interactions energy: -167.981
where: short stacking energy: -76.174
Base-Backbone interact. energy: -0.410
local terms energy: -132.836044
where:
bonds (distance) C4'-P energy: -31.691
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -30.684
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -19.480
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: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -199.733980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.733980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.733980 (E_RNA)
where:
Base-Base interactions energy: -112.226
where: short stacking energy: -61.776
Base-Backbone interact. energy: 0.270
local terms energy: -87.777900
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -27.599
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: 2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -544.716275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.716275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.716275 (E_RNA)
where:
Base-Base interactions energy: -368.168
where: short stacking energy: -181.344
Base-Backbone interact. energy: 0.866
local terms energy: -177.413966
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -28.062
flat angles C4'-P-C4' energy: -37.475
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -51.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -533.831032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.831032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.831032 (E_RNA)
where:
Base-Base interactions energy: -350.784
where: short stacking energy: -175.323
Base-Backbone interact. energy: -1.119
local terms energy: -181.928478
where:
bonds (distance) C4'-P energy: -34.272
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -35.990
flat angles P-C4'-P energy: -27.767
tors. eta vs tors. theta energy: -49.287
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: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -555.667458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.667458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.667458 (E_RNA)
where:
Base-Base interactions energy: -378.664
where: short stacking energy: -177.732
Base-Backbone interact. energy: -0.576
local terms energy: -176.427463
where:
bonds (distance) C4'-P energy: -33.580
bonds (distance) P-C4' energy: -32.900
flat angles C4'-P-C4' energy: -34.703
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -48.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -519.753345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.753345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.753345 (E_RNA)
where:
Base-Base interactions energy: -332.695
where: short stacking energy: -161.916
Base-Backbone interact. energy: 0.016
local terms energy: -187.074222
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -36.934
flat angles P-C4'-P energy: -31.594
tors. eta vs tors. theta energy: -48.945
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: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -448.433213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.433213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.433213 (E_RNA)
where:
Base-Base interactions energy: -303.676
where: short stacking energy: -138.955
Base-Backbone interact. energy: -0.493
local terms energy: -144.263588
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -32.964
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -31.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -364.375383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.375383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.375383 (E_RNA)
where:
Base-Base interactions energy: -228.490
where: short stacking energy: -105.836
Base-Backbone interact. energy: -0.800
local terms energy: -135.085027
where:
bonds (distance) C4'-P energy: -26.607
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -395.426939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.426939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.426939 (E_RNA)
where:
Base-Base interactions energy: -249.757
where: short stacking energy: -136.352
Base-Backbone interact. energy: -0.080
local terms energy: -145.589450
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -31.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -300.350360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.350360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.350360 (E_RNA)
where:
Base-Base interactions energy: -178.653
where: short stacking energy: -95.898
Base-Backbone interact. energy: -0.200
local terms energy: -121.497522
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -37.597
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -15.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -278.070265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.070265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.070265 (E_RNA)
where:
Base-Base interactions energy: -153.787
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.268
local terms energy: -124.014449
where:
bonds (distance) C4'-P energy: -33.422
bonds (distance) P-C4' energy: -31.244
flat angles C4'-P-C4' energy: -27.881
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -12.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -229.541916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.541916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.541916 (E_RNA)
where:
Base-Base interactions energy: -112.304
where: short stacking energy: -65.414
Base-Backbone interact. energy: -0.997
local terms energy: -116.240573
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -547.571589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.571589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.571589 (E_RNA)
where:
Base-Base interactions energy: -356.865
where: short stacking energy: -183.808
Base-Backbone interact. energy: -0.018
local terms energy: -190.688651
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -35.430
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -59.644
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: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -530.981428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.981428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.981428 (E_RNA)
where:
Base-Base interactions energy: -358.597
where: short stacking energy: -170.074
Base-Backbone interact. energy: -0.659
local terms energy: -171.725484
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: -46.444
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: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -533.158057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.158057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.158057 (E_RNA)
where:
Base-Base interactions energy: -362.289
where: short stacking energy: -166.078
Base-Backbone interact. energy: -0.060
local terms energy: -170.808799
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -31.477
flat angles C4'-P-C4' energy: -41.773
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -48.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -513.517690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.517690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.517690 (E_RNA)
where:
Base-Base interactions energy: -339.983
where: short stacking energy: -170.257
Base-Backbone interact. energy: -0.828
local terms energy: -172.706396
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -51.044
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: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -456.976447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.976447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.976447 (E_RNA)
where:
Base-Base interactions energy: -299.353
where: short stacking energy: -131.693
Base-Backbone interact. energy: 2.222
local terms energy: -159.845221
where:
bonds (distance) C4'-P energy: -24.426
bonds (distance) P-C4' energy: -40.189
flat angles C4'-P-C4' energy: -38.956
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -38.260
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: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -363.394417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.394417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.394417 (E_RNA)
where:
Base-Base interactions energy: -229.935
where: short stacking energy: -110.092
Base-Backbone interact. energy: -0.482
local terms energy: -132.976963
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -31.165
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -369.919203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.919203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.919203 (E_RNA)
where:
Base-Base interactions energy: -248.211
where: short stacking energy: -127.566
Base-Backbone interact. energy: -0.203
local terms energy: -121.504987
where:
bonds (distance) C4'-P energy: -21.316
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -28.770
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -329.667142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.667142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.667142 (E_RNA)
where:
Base-Base interactions energy: -208.778
where: short stacking energy: -106.944
Base-Backbone interact. energy: -0.185
local terms energy: -120.704787
where:
bonds (distance) C4'-P energy: -35.049
bonds (distance) P-C4' energy: -24.126
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -23.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -275.224225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.224225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.224225 (E_RNA)
where:
Base-Base interactions energy: -162.189
where: short stacking energy: -81.886
Base-Backbone interact. energy: -0.663
local terms energy: -112.372423
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -13.496
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: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -205.589611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.589611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.589611 (E_RNA)
where:
Base-Base interactions energy: -96.811
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.209
local terms energy: -108.569758
where:
bonds (distance) C4'-P energy: -30.138
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -31.880
flat angles P-C4'-P energy: -19.166
tors. eta vs tors. theta energy: 4.909
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: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -583.720822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.720822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.720822 (E_RNA)
where:
Base-Base interactions energy: -391.475
where: short stacking energy: -191.725
Base-Backbone interact. energy: -0.104
local terms energy: -192.141500
where:
bonds (distance) C4'-P energy: -34.030
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -55.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -529.066428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.066428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.066428 (E_RNA)
where:
Base-Base interactions energy: -354.543
where: short stacking energy: -154.693
Base-Backbone interact. energy: -0.396
local terms energy: -174.127168
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -33.884
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -41.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -511.903788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.903788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.903788 (E_RNA)
where:
Base-Base interactions energy: -330.126
where: short stacking energy: -155.585
Base-Backbone interact. energy: -0.729
local terms energy: -181.048072
where:
bonds (distance) C4'-P energy: -38.231
bonds (distance) P-C4' energy: -30.032
flat angles C4'-P-C4' energy: -40.745
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -42.746
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: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -520.578541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.578541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.578541 (E_RNA)
where:
Base-Base interactions energy: -349.900
where: short stacking energy: -162.253
Base-Backbone interact. energy: -0.056
local terms energy: -170.623226
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -34.078
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -46.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -454.448411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.448411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.448411 (E_RNA)
where:
Base-Base interactions energy: -298.883
where: short stacking energy: -133.674
Base-Backbone interact. energy: -0.590
local terms energy: -154.975584
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -36.819
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -21.737
tors. eta vs tors. theta energy: -37.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -385.777953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.777953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.777953 (E_RNA)
where:
Base-Base interactions energy: -264.713
where: short stacking energy: -108.582
Base-Backbone interact. energy: -0.205
local terms energy: -120.860326
where:
bonds (distance) C4'-P energy: -27.299
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -398.390209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.390209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.390209 (E_RNA)
where:
Base-Base interactions energy: -245.507
where: short stacking energy: -128.713
Base-Backbone interact. energy: -0.712
local terms energy: -152.170527
where:
bonds (distance) C4'-P energy: -33.518
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -29.870
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -32.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -290.750707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.750707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.750707 (E_RNA)
where:
Base-Base interactions energy: -162.435
where: short stacking energy: -88.699
Base-Backbone interact. energy: -1.374
local terms energy: -126.941117
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -17.303
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: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -295.719230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.719230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.719230 (E_RNA)
where:
Base-Base interactions energy: -182.791
where: short stacking energy: -72.340
Base-Backbone interact. energy: -0.126
local terms energy: -112.802091
where:
bonds (distance) C4'-P energy: -28.388
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -213.498738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.498738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.498738 (E_RNA)
where:
Base-Base interactions energy: -109.300
where: short stacking energy: -58.892
Base-Backbone interact. energy: -0.402
local terms energy: -103.796712
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -30.895
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -566.487175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.487175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.487175 (E_RNA)
where:
Base-Base interactions energy: -383.173
where: short stacking energy: -188.767
Base-Backbone interact. energy: -0.010
local terms energy: -183.304462
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -37.184
flat angles P-C4'-P energy: -27.931
tors. eta vs tors. theta energy: -58.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -527.042847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.042847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.042847 (E_RNA)
where:
Base-Base interactions energy: -350.511
where: short stacking energy: -164.213
Base-Backbone interact. energy: 0.265
local terms energy: -176.796524
where:
bonds (distance) C4'-P energy: -31.585
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -40.514
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -41.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -514.734849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.734849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.734849 (E_RNA)
where:
Base-Base interactions energy: -347.070
where: short stacking energy: -158.970
Base-Backbone interact. energy: -0.596
local terms energy: -167.069182
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -26.793
flat angles C4'-P-C4' energy: -41.019
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -45.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -509.718210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.718210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.718210 (E_RNA)
where:
Base-Base interactions energy: -340.259
where: short stacking energy: -157.684
Base-Backbone interact. energy: -0.469
local terms energy: -168.989609
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -31.301
flat angles C4'-P-C4' energy: -38.129
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: -42.540
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: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -444.638293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.638293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.638293 (E_RNA)
where:
Base-Base interactions energy: -288.861
where: short stacking energy: -139.170
Base-Backbone interact. energy: 0.204
local terms energy: -155.980858
where:
bonds (distance) C4'-P energy: -32.787
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -21.701
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: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -400.565828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.565828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.565828 (E_RNA)
where:
Base-Base interactions energy: -250.319
where: short stacking energy: -115.447
Base-Backbone interact. energy: -0.161
local terms energy: -150.085932
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -37.268
flat angles P-C4'-P energy: -21.169
tors. eta vs tors. theta energy: -29.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -399.906470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.906470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.906470 (E_RNA)
where:
Base-Base interactions energy: -259.060
where: short stacking energy: -124.791
Base-Backbone interact. energy: -0.485
local terms energy: -140.361150
where:
bonds (distance) C4'-P energy: -30.032
bonds (distance) P-C4' energy: -34.626
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -32.698
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: 238
Temperature: 1.250000
Total energy: -257.277873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.277873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.277873 (E_RNA)
where:
Base-Base interactions energy: -146.520
where: short stacking energy: -95.672
Base-Backbone interact. energy: 0.606
local terms energy: -111.363438
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -285.439889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.439889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.439889 (E_RNA)
where:
Base-Base interactions energy: -180.368
where: short stacking energy: -86.097
Base-Backbone interact. energy: -0.217
local terms energy: -104.855327
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -38.966
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -235.544656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.544656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.544656 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -79.061
Base-Backbone interact. energy: -0.191
local terms energy: -105.252553
where:
bonds (distance) C4'-P energy: -22.206
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -14.370
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: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -578.921013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.921013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.921013 (E_RNA)
where:
Base-Base interactions energy: -385.886
where: short stacking energy: -190.829
Base-Backbone interact. energy: -0.688
local terms energy: -192.347023
where:
bonds (distance) C4'-P energy: -34.452
bonds (distance) P-C4' energy: -37.976
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -55.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -536.172984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.172984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.172984 (E_RNA)
where:
Base-Base interactions energy: -362.317
where: short stacking energy: -174.113
Base-Backbone interact. energy: -0.235
local terms energy: -173.621054
where:
bonds (distance) C4'-P energy: -30.755
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -38.739
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -47.625
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: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -522.688307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.688307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.688307 (E_RNA)
where:
Base-Base interactions energy: -350.692
where: short stacking energy: -164.016
Base-Backbone interact. energy: -1.003
local terms energy: -170.992827
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -32.892
flat angles C4'-P-C4' energy: -38.352
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -48.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -525.174608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.174608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.174608 (E_RNA)
where:
Base-Base interactions energy: -343.594
where: short stacking energy: -175.023
Base-Backbone interact. energy: -0.746
local terms energy: -180.834895
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -33.553
flat angles C4'-P-C4' energy: -41.234
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: -43.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -461.510321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.510321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.510321 (E_RNA)
where:
Base-Base interactions energy: -311.874
where: short stacking energy: -135.182
Base-Backbone interact. energy: -0.583
local terms energy: -149.052619
where:
bonds (distance) C4'-P energy: -35.922
bonds (distance) P-C4' energy: -29.464
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -31.429
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: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -363.074108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.074108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.074108 (E_RNA)
where:
Base-Base interactions energy: -219.738
where: short stacking energy: -106.989
Base-Backbone interact. energy: -1.617
local terms energy: -141.718499
where:
bonds (distance) C4'-P energy: -31.220
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -36.418
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -341.889836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.889836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.889836 (E_RNA)
where:
Base-Base interactions energy: -214.203
where: short stacking energy: -110.866
Base-Backbone interact. energy: -1.310
local terms energy: -126.376240
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -28.100
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -328.355481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.355481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.355481 (E_RNA)
where:
Base-Base interactions energy: -203.633
where: short stacking energy: -118.731
Base-Backbone interact. energy: -0.251
local terms energy: -124.471908
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -29.896
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -250.320709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.320709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.320709 (E_RNA)
where:
Base-Base interactions energy: -133.652
where: short stacking energy: -84.400
Base-Backbone interact. energy: -0.250
local terms energy: -116.418689
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -12.378
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: 239
Temperature: 1.350000
Total energy: -212.105797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.105797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.105797 (E_RNA)
where:
Base-Base interactions energy: -106.244
where: short stacking energy: -50.032
Base-Backbone interact. energy: -0.572
local terms energy: -105.289817
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -33.230
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: 6.890
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: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -580.318405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.318405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.318405 (E_RNA)
where:
Base-Base interactions energy: -385.271
where: short stacking energy: -199.934
Base-Backbone interact. energy: -0.787
local terms energy: -194.261003
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -38.990
flat angles P-C4'-P energy: -30.195
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: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -539.012565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.012565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.012565 (E_RNA)
where:
Base-Base interactions energy: -355.829
where: short stacking energy: -159.811
Base-Backbone interact. energy: -0.714
local terms energy: -182.469214
where:
bonds (distance) C4'-P energy: -33.177
bonds (distance) P-C4' energy: -37.883
flat angles C4'-P-C4' energy: -37.947
flat angles P-C4'-P energy: -28.979
tors. eta vs tors. theta energy: -44.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -518.235445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.235445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.235445 (E_RNA)
where:
Base-Base interactions energy: -360.218
where: short stacking energy: -171.154
Base-Backbone interact. energy: -0.131
local terms energy: -157.887114
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -38.165
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -45.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -501.461130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.461130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.461130 (E_RNA)
where:
Base-Base interactions energy: -340.980
where: short stacking energy: -162.325
Base-Backbone interact. energy: 0.528
local terms energy: -161.009049
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -31.775
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -45.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -456.178811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.178811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.178811 (E_RNA)
where:
Base-Base interactions energy: -302.320
where: short stacking energy: -117.474
Base-Backbone interact. energy: -0.873
local terms energy: -152.985766
where:
bonds (distance) C4'-P energy: -30.411
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -29.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -403.213921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.213921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.213921 (E_RNA)
where:
Base-Base interactions energy: -240.412
where: short stacking energy: -119.403
Base-Backbone interact. energy: -1.224
local terms energy: -161.578221
where:
bonds (distance) C4'-P energy: -34.208
bonds (distance) P-C4' energy: -33.211
flat angles C4'-P-C4' energy: -35.979
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -33.594
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: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -325.988107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.988107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.988107 (E_RNA)
where:
Base-Base interactions energy: -203.121
where: short stacking energy: -101.630
Base-Backbone interact. energy: -0.343
local terms energy: -122.524150
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -32.639
flat angles C4'-P-C4' energy: -25.094
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -314.089272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.089272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.089272 (E_RNA)
where:
Base-Base interactions energy: -192.246
where: short stacking energy: -91.653
Base-Backbone interact. energy: 1.238
local terms energy: -123.080864
where:
bonds (distance) C4'-P energy: -29.555
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -225.349839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.349839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.349839 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -63.537
Base-Backbone interact. energy: 0.965
local terms energy: -104.285577
where:
bonds (distance) C4'-P energy: -30.830
bonds (distance) P-C4' energy: -28.531
flat angles C4'-P-C4' energy: -24.717
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: 0.402
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: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -235.952664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.952664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.952664 (E_RNA)
where:
Base-Base interactions energy: -114.103
where: short stacking energy: -72.168
Base-Backbone interact. energy: 2.998
local terms energy: -124.847576
where:
bonds (distance) C4'-P energy: -36.833
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -34.672
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -10.351
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: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -564.777901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.777901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.777901 (E_RNA)
where:
Base-Base interactions energy: -376.897
where: short stacking energy: -189.230
Base-Backbone interact. energy: -0.200
local terms energy: -187.681736
where:
bonds (distance) C4'-P energy: -32.468
bonds (distance) P-C4' energy: -36.874
flat angles C4'-P-C4' energy: -39.074
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -52.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -549.177902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.177902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.177902 (E_RNA)
where:
Base-Base interactions energy: -368.226
where: short stacking energy: -169.781
Base-Backbone interact. energy: -0.098
local terms energy: -180.853943
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -31.726
flat angles C4'-P-C4' energy: -43.367
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -48.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -515.307847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.307847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.307847 (E_RNA)
where:
Base-Base interactions energy: -349.456
where: short stacking energy: -163.910
Base-Backbone interact. energy: -0.171
local terms energy: -165.680544
where:
bonds (distance) C4'-P energy: -38.993
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -36.180
flat angles P-C4'-P energy: -25.235
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: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -520.950040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.950040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.950040 (E_RNA)
where:
Base-Base interactions energy: -348.241
where: short stacking energy: -176.731
Base-Backbone interact. energy: -1.216
local terms energy: -171.493411
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -38.392
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -47.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -471.230526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.230526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.230526 (E_RNA)
where:
Base-Base interactions energy: -323.425
where: short stacking energy: -146.794
Base-Backbone interact. energy: -0.792
local terms energy: -147.013850
where:
bonds (distance) C4'-P energy: -30.440
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -23.292
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -414.748178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.748178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.748178 (E_RNA)
where:
Base-Base interactions energy: -265.488
where: short stacking energy: -133.442
Base-Backbone interact. energy: 0.625
local terms energy: -149.885116
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -31.343
flat angles C4'-P-C4' energy: -34.592
flat angles P-C4'-P energy: -21.055
tors. eta vs tors. theta energy: -34.775
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: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -343.683091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.683091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.683091 (E_RNA)
where:
Base-Base interactions energy: -218.044
where: short stacking energy: -98.850
Base-Backbone interact. energy: -0.397
local terms energy: -125.242736
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -33.910
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -17.639
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: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -327.252980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.252980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.252980 (E_RNA)
where:
Base-Base interactions energy: -197.790
where: short stacking energy: -112.574
Base-Backbone interact. energy: -0.870
local terms energy: -128.593378
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -231.006356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.006356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.006356 (E_RNA)
where:
Base-Base interactions energy: -116.639
where: short stacking energy: -74.807
Base-Backbone interact. energy: 1.721
local terms energy: -116.088681
where:
bonds (distance) C4'-P energy: -28.139
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -12.157
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: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -214.242161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.242161 (E_RNA)
where:
Base-Base interactions energy: -111.695
where: short stacking energy: -68.470
Base-Backbone interact. energy: 0.108
local terms energy: -102.654903
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -26.563
flat angles C4'-P-C4' energy: -32.816
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -555.077339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.077339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.077339 (E_RNA)
where:
Base-Base interactions energy: -377.097
where: short stacking energy: -172.119
Base-Backbone interact. energy: 0.505
local terms energy: -178.485262
where:
bonds (distance) C4'-P energy: -36.106
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -38.113
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -44.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -553.175507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.175507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.175507 (E_RNA)
where:
Base-Base interactions energy: -369.589
where: short stacking energy: -201.415
Base-Backbone interact. energy: -0.130
local terms energy: -183.457153
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -56.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -521.982623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.982623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.982623 (E_RNA)
where:
Base-Base interactions energy: -350.147
where: short stacking energy: -175.619
Base-Backbone interact. energy: 1.080
local terms energy: -172.916205
where:
bonds (distance) C4'-P energy: -33.542
bonds (distance) P-C4' energy: -35.736
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -48.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -498.294602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.294602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.294602 (E_RNA)
where:
Base-Base interactions energy: -332.879
where: short stacking energy: -165.059
Base-Backbone interact. energy: -0.808
local terms energy: -164.607588
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -30.444
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -50.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -481.618673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.618673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.618673 (E_RNA)
where:
Base-Base interactions energy: -320.091
where: short stacking energy: -138.489
Base-Backbone interact. energy: -0.745
local terms energy: -160.783184
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -32.229
flat angles C4'-P-C4' energy: -40.962
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -34.884
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: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -384.940023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.940023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.940023 (E_RNA)
where:
Base-Base interactions energy: -242.228
where: short stacking energy: -131.632
Base-Backbone interact. energy: -0.202
local terms energy: -142.509331
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -30.000
flat angles C4'-P-C4' energy: -33.831
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -33.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -333.688138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.688138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.688138 (E_RNA)
where:
Base-Base interactions energy: -201.301
where: short stacking energy: -111.200
Base-Backbone interact. energy: -0.240
local terms energy: -132.147117
where:
bonds (distance) C4'-P energy: -33.459
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -23.330
tors. eta vs tors. theta energy: -28.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -318.670982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.670982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.670982 (E_RNA)
where:
Base-Base interactions energy: -201.354
where: short stacking energy: -85.782
Base-Backbone interact. energy: -0.094
local terms energy: -117.223148
where:
bonds (distance) C4'-P energy: -32.839
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -255.864092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.864092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.864092 (E_RNA)
where:
Base-Base interactions energy: -139.384
where: short stacking energy: -84.334
Base-Backbone interact. energy: -0.123
local terms energy: -116.357294
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -30.543
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -13.207
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: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -199.960706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.960706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.960706 (E_RNA)
where:
Base-Base interactions energy: -100.846
where: short stacking energy: -61.027
Base-Backbone interact. energy: 0.753
local terms energy: -99.868157
where:
bonds (distance) C4'-P energy: -27.947
bonds (distance) P-C4' energy: -29.572
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -560.150929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.150929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.150929 (E_RNA)
where:
Base-Base interactions energy: -379.068
where: short stacking energy: -176.824
Base-Backbone interact. energy: 2.193
local terms energy: -183.276167
where:
bonds (distance) C4'-P energy: -32.798
bonds (distance) P-C4' energy: -34.655
flat angles C4'-P-C4' energy: -37.990
flat angles P-C4'-P energy: -28.336
tors. eta vs tors. theta energy: -49.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -541.299130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.299130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.299130 (E_RNA)
where:
Base-Base interactions energy: -362.429
where: short stacking energy: -178.471
Base-Backbone interact. energy: -0.246
local terms energy: -178.624480
where:
bonds (distance) C4'-P energy: -34.110
bonds (distance) P-C4' energy: -34.057
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -29.980
tors. eta vs tors. theta energy: -48.058
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: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -527.746465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.746465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.746465 (E_RNA)
where:
Base-Base interactions energy: -336.948
where: short stacking energy: -175.033
Base-Backbone interact. energy: -0.711
local terms energy: -190.087292
where:
bonds (distance) C4'-P energy: -39.424
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -42.058
flat angles P-C4'-P energy: -29.020
tors. eta vs tors. theta energy: -49.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -501.808231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.808231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.808231 (E_RNA)
where:
Base-Base interactions energy: -325.315
where: short stacking energy: -144.472
Base-Backbone interact. energy: -0.935
local terms energy: -175.557962
where:
bonds (distance) C4'-P energy: -38.638
bonds (distance) P-C4' energy: -33.463
flat angles C4'-P-C4' energy: -39.343
flat angles P-C4'-P energy: -25.486
tors. eta vs tors. theta energy: -38.628
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: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -490.157169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.157169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.157169 (E_RNA)
where:
Base-Base interactions energy: -333.673
where: short stacking energy: -144.423
Base-Backbone interact. energy: 0.595
local terms energy: -157.079838
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -33.741
flat angles C4'-P-C4' energy: -33.808
flat angles P-C4'-P energy: -18.264
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: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -389.082778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.082778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.082778 (E_RNA)
where:
Base-Base interactions energy: -247.273
where: short stacking energy: -135.074
Base-Backbone interact. energy: -0.570
local terms energy: -141.240601
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -34.568
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: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -354.015432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.015432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.015432 (E_RNA)
where:
Base-Base interactions energy: -224.321
where: short stacking energy: -123.986
Base-Backbone interact. energy: 1.647
local terms energy: -131.341659
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -36.228
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -322.820321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.820321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.820321 (E_RNA)
where:
Base-Base interactions energy: -209.014
where: short stacking energy: -97.371
Base-Backbone interact. energy: 2.261
local terms energy: -116.067646
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -33.308
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -247.519828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.519828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.519828 (E_RNA)
where:
Base-Base interactions energy: -145.995
where: short stacking energy: -85.731
Base-Backbone interact. energy: -0.623
local terms energy: -100.902023
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -10.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -214.275135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.275135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.275135 (E_RNA)
where:
Base-Base interactions energy: -109.799
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.245
local terms energy: -104.231121
where:
bonds (distance) C4'-P energy: -35.649
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -2.235
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: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -543.456495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.456495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.456495 (E_RNA)
where:
Base-Base interactions energy: -370.142
where: short stacking energy: -169.453
Base-Backbone interact. energy: -0.319
local terms energy: -172.995207
where:
bonds (distance) C4'-P energy: -28.380
bonds (distance) P-C4' energy: -31.171
flat angles C4'-P-C4' energy: -33.454
flat angles P-C4'-P energy: -29.368
tors. eta vs tors. theta energy: -50.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -541.823420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.823420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.823420 (E_RNA)
where:
Base-Base interactions energy: -362.381
where: short stacking energy: -174.771
Base-Backbone interact. energy: -1.512
local terms energy: -177.930178
where:
bonds (distance) C4'-P energy: -30.633
bonds (distance) P-C4' energy: -29.260
flat angles C4'-P-C4' energy: -39.853
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -53.610
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: 244
Temperature: 1.000000
Total energy: -513.547206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.547206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.547206 (E_RNA)
where:
Base-Base interactions energy: -339.602
where: short stacking energy: -161.508
Base-Backbone interact. energy: -0.774
local terms energy: -173.170862
where:
bonds (distance) C4'-P energy: -31.160
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -27.179
tors. eta vs tors. theta energy: -44.741
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: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -517.749179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.749179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.749179 (E_RNA)
where:
Base-Base interactions energy: -342.362
where: short stacking energy: -174.857
Base-Backbone interact. energy: 0.499
local terms energy: -175.886212
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -52.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -491.134187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.134187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.134187 (E_RNA)
where:
Base-Base interactions energy: -333.575
where: short stacking energy: -149.030
Base-Backbone interact. energy: -0.145
local terms energy: -157.414430
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -32.687
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -36.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -348.425731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.425731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.425731 (E_RNA)
where:
Base-Base interactions energy: -211.704
where: short stacking energy: -111.519
Base-Backbone interact. energy: -1.168
local terms energy: -135.553650
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -39.183
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -326.481952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.481952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.481952 (E_RNA)
where:
Base-Base interactions energy: -199.582
where: short stacking energy: -88.091
Base-Backbone interact. energy: -0.827
local terms energy: -126.072089
where:
bonds (distance) C4'-P energy: -33.381
bonds (distance) P-C4' energy: -36.839
flat angles C4'-P-C4' energy: -24.008
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -312.677716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.677716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.677716 (E_RNA)
where:
Base-Base interactions energy: -186.166
where: short stacking energy: -96.537
Base-Backbone interact. energy: 0.535
local terms energy: -127.046105
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -17.685
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: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -253.002229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.002229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.002229 (E_RNA)
where:
Base-Base interactions energy: -126.852
where: short stacking energy: -66.238
Base-Backbone interact. energy: -0.588
local terms energy: -125.562033
where:
bonds (distance) C4'-P energy: -27.787
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -13.250
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: 244
Temperature: 1.350000
Total energy: -219.416018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.416018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.416018 (E_RNA)
where:
Base-Base interactions energy: -115.544
where: short stacking energy: -60.583
Base-Backbone interact. energy: -1.208
local terms energy: -102.664300
where:
bonds (distance) C4'-P energy: -31.143
bonds (distance) P-C4' energy: -31.567
flat angles C4'-P-C4' energy: -28.152
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: 0.662
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -558.806809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.806809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.806809 (E_RNA)
where:
Base-Base interactions energy: -382.093
where: short stacking energy: -171.434
Base-Backbone interact. energy: 0.087
local terms energy: -176.800212
where:
bonds (distance) C4'-P energy: -31.611
bonds (distance) P-C4' energy: -33.768
flat angles C4'-P-C4' energy: -38.585
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: -50.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -532.498691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.498691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.498691 (E_RNA)
where:
Base-Base interactions energy: -364.210
where: short stacking energy: -178.810
Base-Backbone interact. energy: 2.744
local terms energy: -171.032959
where:
bonds (distance) C4'-P energy: -35.201
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -34.934
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: -46.685
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: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -499.245017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.245017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.245017 (E_RNA)
where:
Base-Base interactions energy: -330.707
where: short stacking energy: -141.534
Base-Backbone interact. energy: -0.208
local terms energy: -168.329581
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -34.615
flat angles C4'-P-C4' energy: -42.112
flat angles P-C4'-P energy: -25.708
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: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -505.683073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.683073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.683073 (E_RNA)
where:
Base-Base interactions energy: -352.345
where: short stacking energy: -156.293
Base-Backbone interact. energy: -0.318
local terms energy: -153.019992
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -40.771
flat angles P-C4'-P energy: -19.487
tors. eta vs tors. theta energy: -40.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -483.230285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.230285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.230285 (E_RNA)
where:
Base-Base interactions energy: -315.132
where: short stacking energy: -153.401
Base-Backbone interact. energy: -0.114
local terms energy: -167.984429
where:
bonds (distance) C4'-P energy: -29.482
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -38.264
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -42.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -360.646176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.646176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.646176 (E_RNA)
where:
Base-Base interactions energy: -219.986
where: short stacking energy: -117.732
Base-Backbone interact. energy: -0.292
local terms energy: -140.367984
where:
bonds (distance) C4'-P energy: -34.907
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -35.366
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -328.411431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.411431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.411431 (E_RNA)
where:
Base-Base interactions energy: -184.579
where: short stacking energy: -92.314
Base-Backbone interact. energy: -0.585
local terms energy: -143.247468
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -35.688
flat angles C4'-P-C4' energy: -33.885
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -246.622672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.622672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.622672 (E_RNA)
where:
Base-Base interactions energy: -133.452
where: short stacking energy: -77.693
Base-Backbone interact. energy: 0.701
local terms energy: -113.871134
where:
bonds (distance) C4'-P energy: -30.410
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -284.224962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.224962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.224962 (E_RNA)
where:
Base-Base interactions energy: -167.163
where: short stacking energy: -83.601
Base-Backbone interact. energy: -0.467
local terms energy: -116.595034
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -29.170
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -214.502011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.502011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.502011 (E_RNA)
where:
Base-Base interactions energy: -115.670
where: short stacking energy: -53.854
Base-Backbone interact. energy: -0.829
local terms energy: -98.002907
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -553.678988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.678988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.678988 (E_RNA)
where:
Base-Base interactions energy: -372.949
where: short stacking energy: -168.598
Base-Backbone interact. energy: -0.339
local terms energy: -180.391451
where:
bonds (distance) C4'-P energy: -33.454
bonds (distance) P-C4' energy: -36.222
flat angles C4'-P-C4' energy: -37.587
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -46.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -534.403657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.403657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.403657 (E_RNA)
where:
Base-Base interactions energy: -353.632
where: short stacking energy: -163.426
Base-Backbone interact. energy: -0.324
local terms energy: -180.447332
where:
bonds (distance) C4'-P energy: -39.684
bonds (distance) P-C4' energy: -32.790
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -51.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -498.040392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.040392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.040392 (E_RNA)
where:
Base-Base interactions energy: -337.776
where: short stacking energy: -152.226
Base-Backbone interact. energy: 1.006
local terms energy: -161.270372
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -37.208
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -39.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -522.649962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.649962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.649962 (E_RNA)
where:
Base-Base interactions energy: -352.729
where: short stacking energy: -163.525
Base-Backbone interact. energy: -0.157
local terms energy: -169.763808
where:
bonds (distance) C4'-P energy: -32.344
bonds (distance) P-C4' energy: -27.375
flat angles C4'-P-C4' energy: -37.752
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -479.591015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.591015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.591015 (E_RNA)
where:
Base-Base interactions energy: -309.201
where: short stacking energy: -163.630
Base-Backbone interact. energy: -0.018
local terms energy: -170.371620
where:
bonds (distance) C4'-P energy: -35.512
bonds (distance) P-C4' energy: -29.775
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -48.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -381.765934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.765934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.765934 (E_RNA)
where:
Base-Base interactions energy: -231.278
where: short stacking energy: -112.854
Base-Backbone interact. energy: -1.788
local terms energy: -148.699893
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -35.945
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -23.715
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: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -282.902972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.902972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.902972 (E_RNA)
where:
Base-Base interactions energy: -156.822
where: short stacking energy: -84.204
Base-Backbone interact. energy: 3.851
local terms energy: -129.931339
where:
bonds (distance) C4'-P energy: -33.079
bonds (distance) P-C4' energy: -36.291
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -10.986
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: 246
Temperature: 1.250000
Total energy: -310.344482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.344482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.344482 (E_RNA)
where:
Base-Base interactions energy: -178.154
where: short stacking energy: -92.912
Base-Backbone interact. energy: 1.287
local terms energy: -133.477986
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -31.489
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -285.672587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.672587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.672587 (E_RNA)
where:
Base-Base interactions energy: -173.493
where: short stacking energy: -88.219
Base-Backbone interact. energy: -1.064
local terms energy: -111.114871
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -32.048
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -22.685
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -219.490038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.490038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.490038 (E_RNA)
where:
Base-Base interactions energy: -112.958
where: short stacking energy: -63.740
Base-Backbone interact. energy: 2.596
local terms energy: -109.128370
where:
bonds (distance) C4'-P energy: -19.132
bonds (distance) P-C4' energy: -35.247
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -19.114
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -548.947008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.947008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.947008 (E_RNA)
where:
Base-Base interactions energy: -366.664
where: short stacking energy: -171.116
Base-Backbone interact. energy: -1.231
local terms energy: -181.052410
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -38.515
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -49.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -557.944369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.944369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.944369 (E_RNA)
where:
Base-Base interactions energy: -375.295
where: short stacking energy: -166.502
Base-Backbone interact. energy: -1.180
local terms energy: -181.469000
where:
bonds (distance) C4'-P energy: -30.665
bonds (distance) P-C4' energy: -29.535
flat angles C4'-P-C4' energy: -41.067
flat angles P-C4'-P energy: -28.924
tors. eta vs tors. theta energy: -51.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -492.682199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.682199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.682199 (E_RNA)
where:
Base-Base interactions energy: -328.235
where: short stacking energy: -149.914
Base-Backbone interact. energy: 1.867
local terms energy: -166.314669
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -36.604
flat angles C4'-P-C4' energy: -33.898
flat angles P-C4'-P energy: -29.479
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: 247
Temperature: 1.050000
Total energy: -511.248727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.248727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.248727 (E_RNA)
where:
Base-Base interactions energy: -350.865
where: short stacking energy: -161.348
Base-Backbone interact. energy: -0.241
local terms energy: -160.142963
where:
bonds (distance) C4'-P energy: -30.656
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -32.231
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -41.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -490.516693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.516693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.516693 (E_RNA)
where:
Base-Base interactions energy: -320.928
where: short stacking energy: -162.768
Base-Backbone interact. energy: -0.174
local terms energy: -169.414897
where:
bonds (distance) C4'-P energy: -33.120
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -36.636
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: -47.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -406.747582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.747582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.747582 (E_RNA)
where:
Base-Base interactions energy: -264.401
where: short stacking energy: -115.891
Base-Backbone interact. energy: -0.992
local terms energy: -141.354998
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -31.573
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -325.024397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.024397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.024397 (E_RNA)
where:
Base-Base interactions energy: -200.764
where: short stacking energy: -104.807
Base-Backbone interact. energy: -0.404
local terms energy: -123.855803
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -340.932462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.932462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.932462 (E_RNA)
where:
Base-Base interactions energy: -208.242
where: short stacking energy: -98.243
Base-Backbone interact. energy: -0.306
local terms energy: -132.385120
where:
bonds (distance) C4'-P energy: -29.550
bonds (distance) P-C4' energy: -30.939
flat angles C4'-P-C4' energy: -29.284
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -23.318
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: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -306.003272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.003272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.003272 (E_RNA)
where:
Base-Base interactions energy: -190.444
where: short stacking energy: -101.830
Base-Backbone interact. energy: 0.191
local terms energy: -115.750119
where:
bonds (distance) C4'-P energy: -31.880
bonds (distance) P-C4' energy: -34.750
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -228.595663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.595663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.595663 (E_RNA)
where:
Base-Base interactions energy: -107.991
where: short stacking energy: -56.191
Base-Backbone interact. energy: -0.361
local terms energy: -120.243363
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -31.122
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -546.413221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.413221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.413221 (E_RNA)
where:
Base-Base interactions energy: -360.869
where: short stacking energy: -156.980
Base-Backbone interact. energy: -0.297
local terms energy: -185.247068
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -37.836
flat angles C4'-P-C4' energy: -42.215
flat angles P-C4'-P energy: -21.448
tors. eta vs tors. theta energy: -49.928
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: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -555.078336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.078336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.078336 (E_RNA)
where:
Base-Base interactions energy: -368.773
where: short stacking energy: -176.174
Base-Backbone interact. energy: -0.420
local terms energy: -185.885218
where:
bonds (distance) C4'-P energy: -28.291
bonds (distance) P-C4' energy: -39.093
flat angles C4'-P-C4' energy: -36.976
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -55.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -539.913908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.913908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.913908 (E_RNA)
where:
Base-Base interactions energy: -366.079
where: short stacking energy: -177.441
Base-Backbone interact. energy: -0.222
local terms energy: -173.613174
where:
bonds (distance) C4'-P energy: -35.532
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -33.543
flat angles P-C4'-P energy: -25.336
tors. eta vs tors. theta energy: -46.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -475.094794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.094794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.094794 (E_RNA)
where:
Base-Base interactions energy: -309.504
where: short stacking energy: -144.507
Base-Backbone interact. energy: -0.499
local terms energy: -165.091251
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -36.772
flat angles P-C4'-P energy: -26.918
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: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -499.047488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.047488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.047488 (E_RNA)
where:
Base-Base interactions energy: -336.337
where: short stacking energy: -171.194
Base-Backbone interact. energy: 0.070
local terms energy: -162.780133
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -36.685
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -47.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -372.249983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.249983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.249983 (E_RNA)
where:
Base-Base interactions energy: -243.638
where: short stacking energy: -116.826
Base-Backbone interact. energy: -0.843
local terms energy: -127.768766
where:
bonds (distance) C4'-P energy: -33.866
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -35.645
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -338.649221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.649221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.649221 (E_RNA)
where:
Base-Base interactions energy: -207.882
where: short stacking energy: -108.048
Base-Backbone interact. energy: -0.703
local terms energy: -130.064138
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -26.745
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -27.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -332.235011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.235011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.235011 (E_RNA)
where:
Base-Base interactions energy: -213.102
where: short stacking energy: -100.055
Base-Backbone interact. energy: 0.180
local terms energy: -119.312872
where:
bonds (distance) C4'-P energy: -31.198
bonds (distance) P-C4' energy: -31.789
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -16.299
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: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -296.511081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.511081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.511081 (E_RNA)
where:
Base-Base interactions energy: -186.424
where: short stacking energy: -81.842
Base-Backbone interact. energy: -1.259
local terms energy: -108.827862
where:
bonds (distance) C4'-P energy: -28.837
bonds (distance) P-C4' energy: -29.702
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -248.960335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.960335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.960335 (E_RNA)
where:
Base-Base interactions energy: -144.494
where: short stacking energy: -86.668
Base-Backbone interact. energy: -0.405
local terms energy: -104.061398
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -32.997
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -17.325
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -541.228938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.228938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.228938 (E_RNA)
where:
Base-Base interactions energy: -355.670
where: short stacking energy: -172.123
Base-Backbone interact. energy: -0.215
local terms energy: -185.344260
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -36.257
flat angles C4'-P-C4' energy: -40.507
flat angles P-C4'-P energy: -24.858
tors. eta vs tors. theta energy: -46.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -560.644980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.644980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.644980 (E_RNA)
where:
Base-Base interactions energy: -371.881
where: short stacking energy: -178.636
Base-Backbone interact. energy: -0.310
local terms energy: -188.453339
where:
bonds (distance) C4'-P energy: -33.225
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -40.698
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -51.065
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: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -539.523313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.523313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.523313 (E_RNA)
where:
Base-Base interactions energy: -363.702
where: short stacking energy: -166.925
Base-Backbone interact. energy: -0.433
local terms energy: -175.389229
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -28.468
tors. eta vs tors. theta energy: -51.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -530.385000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.385000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.385000 (E_RNA)
where:
Base-Base interactions energy: -350.094
where: short stacking energy: -192.984
Base-Backbone interact. energy: -0.649
local terms energy: -179.642139
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -40.098
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -57.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -437.810013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.810013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.810013 (E_RNA)
where:
Base-Base interactions energy: -287.019
where: short stacking energy: -132.212
Base-Backbone interact. energy: 0.022
local terms energy: -150.813004
where:
bonds (distance) C4'-P energy: -31.474
bonds (distance) P-C4' energy: -35.456
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -23.520
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: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -363.038647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.038647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.038647 (E_RNA)
where:
Base-Base interactions energy: -214.161
where: short stacking energy: -116.876
Base-Backbone interact. energy: -0.144
local terms energy: -148.734355
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -33.636
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: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -341.777080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.777080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.777080 (E_RNA)
where:
Base-Base interactions energy: -205.653
where: short stacking energy: -97.724
Base-Backbone interact. energy: -1.084
local terms energy: -135.039677
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -25.678
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -272.275910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.275910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.275910 (E_RNA)
where:
Base-Base interactions energy: -167.010
where: short stacking energy: -79.233
Base-Backbone interact. energy: -0.418
local terms energy: -104.848561
where:
bonds (distance) C4'-P energy: -29.538
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -26.462
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -3.712
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: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -279.710339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.710339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.710339 (E_RNA)
where:
Base-Base interactions energy: -174.884
where: short stacking energy: -96.874
Base-Backbone interact. energy: -0.257
local terms energy: -104.569343
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -8.635
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: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -248.257237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.257237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.257237 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -66.016
Base-Backbone interact. energy: -0.520
local terms energy: -116.330058
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -34.166
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -555.080403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.080403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.080403 (E_RNA)
where:
Base-Base interactions energy: -366.244
where: short stacking energy: -183.600
Base-Backbone interact. energy: -0.255
local terms energy: -188.581682
where:
bonds (distance) C4'-P energy: -37.226
bonds (distance) P-C4' energy: -37.120
flat angles C4'-P-C4' energy: -36.724
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -51.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -537.885048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.885048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.885048 (E_RNA)
where:
Base-Base interactions energy: -359.391
where: short stacking energy: -171.953
Base-Backbone interact. energy: 0.158
local terms energy: -178.652087
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -37.652
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -44.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -531.243812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.243812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.243812 (E_RNA)
where:
Base-Base interactions energy: -357.560
where: short stacking energy: -171.815
Base-Backbone interact. energy: -0.531
local terms energy: -173.152262
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -35.762
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -47.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -527.728423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.728423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.728423 (E_RNA)
where:
Base-Base interactions energy: -350.657
where: short stacking energy: -178.832
Base-Backbone interact. energy: -0.149
local terms energy: -176.922714
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -39.220
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -52.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -428.681863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.681863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.681863 (E_RNA)
where:
Base-Base interactions energy: -280.789
where: short stacking energy: -128.560
Base-Backbone interact. energy: -1.258
local terms energy: -146.634621
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -33.434
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -27.991
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -399.336589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.336589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.336589 (E_RNA)
where:
Base-Base interactions energy: -261.578
where: short stacking energy: -132.397
Base-Backbone interact. energy: 1.004
local terms energy: -138.763215
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -32.697
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -29.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -344.967052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.967052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.967052 (E_RNA)
where:
Base-Base interactions energy: -206.449
where: short stacking energy: -107.802
Base-Backbone interact. energy: 4.579
local terms energy: -143.097530
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -24.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -244.258366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.258366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.258366 (E_RNA)
where:
Base-Base interactions energy: -139.705
where: short stacking energy: -82.200
Base-Backbone interact. energy: -0.071
local terms energy: -104.483087
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -305.800841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.800841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.800841 (E_RNA)
where:
Base-Base interactions energy: -191.290
where: short stacking energy: -103.646
Base-Backbone interact. energy: 0.513
local terms energy: -115.024513
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -18.830
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: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -218.663245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.663245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.663245 (E_RNA)
where:
Base-Base interactions energy: -102.570
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.805
local terms energy: -115.288517
where:
bonds (distance) C4'-P energy: -36.360
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -28.770
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -570.598390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.598390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.598390 (E_RNA)
where:
Base-Base interactions energy: -385.886
where: short stacking energy: -183.767
Base-Backbone interact. energy: -0.334
local terms energy: -184.378584
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -35.175
flat angles C4'-P-C4' energy: -39.453
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -50.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -550.326412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.326412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.326412 (E_RNA)
where:
Base-Base interactions energy: -366.327
where: short stacking energy: -176.449
Base-Backbone interact. energy: 0.080
local terms energy: -184.079707
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -37.220
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -49.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -515.438341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.438341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.438341 (E_RNA)
where:
Base-Base interactions energy: -342.176
where: short stacking energy: -172.081
Base-Backbone interact. energy: -0.145
local terms energy: -173.117078
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -37.591
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -46.608
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: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -504.685542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.685542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.685542 (E_RNA)
where:
Base-Base interactions energy: -337.384
where: short stacking energy: -175.826
Base-Backbone interact. energy: -0.294
local terms energy: -167.008056
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -21.927
tors. eta vs tors. theta energy: -51.023
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: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -439.873760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.873760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.873760 (E_RNA)
where:
Base-Base interactions energy: -284.810
where: short stacking energy: -140.585
Base-Backbone interact. energy: 0.316
local terms energy: -155.380033
where:
bonds (distance) C4'-P energy: -29.787
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -27.342
flat angles P-C4'-P energy: -26.243
tors. eta vs tors. theta energy: -35.872
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: 9
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -401.831986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.831986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.831986 (E_RNA)
where:
Base-Base interactions energy: -251.427
where: short stacking energy: -126.564
Base-Backbone interact. energy: -1.205
local terms energy: -149.200541
where:
bonds (distance) C4'-P energy: -31.961
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -28.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -344.777669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.777669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.777669 (E_RNA)
where:
Base-Base interactions energy: -211.571
where: short stacking energy: -113.545
Base-Backbone interact. energy: -0.815
local terms energy: -132.391227
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -28.569
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -23.395
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: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -298.522610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.522610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.522610 (E_RNA)
where:
Base-Base interactions energy: -168.040
where: short stacking energy: -75.771
Base-Backbone interact. energy: -0.928
local terms energy: -129.554333
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -35.122
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -237.510980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.510980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.510980 (E_RNA)
where:
Base-Base interactions energy: -123.734
where: short stacking energy: -72.185
Base-Backbone interact. energy: 0.291
local terms energy: -114.068665
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -38.788
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -5.276
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: 251
Temperature: 1.350000
Total energy: -159.906616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.906616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.906616 (E_RNA)
where:
Base-Base interactions energy: -54.092
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.850
local terms energy: -104.964336
where:
bonds (distance) C4'-P energy: -32.448
bonds (distance) P-C4' energy: -33.429
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -577.257221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.257221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.257221 (E_RNA)
where:
Base-Base interactions energy: -393.141
where: short stacking energy: -183.271
Base-Backbone interact. energy: -0.203
local terms energy: -183.913811
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -33.534
flat angles C4'-P-C4' energy: -36.299
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -55.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -545.527019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.527019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.527019 (E_RNA)
where:
Base-Base interactions energy: -372.090
where: short stacking energy: -180.463
Base-Backbone interact. energy: -0.572
local terms energy: -172.865168
where:
bonds (distance) C4'-P energy: -36.040
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -37.889
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -46.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -538.175121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.175121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.175121 (E_RNA)
where:
Base-Base interactions energy: -359.285
where: short stacking energy: -202.893
Base-Backbone interact. energy: -0.239
local terms energy: -178.650667
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -60.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -502.411345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.411345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.411345 (E_RNA)
where:
Base-Base interactions energy: -345.903
where: short stacking energy: -157.359
Base-Backbone interact. energy: -0.011
local terms energy: -156.497099
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -43.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -427.615406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.615406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.615406 (E_RNA)
where:
Base-Base interactions energy: -279.500
where: short stacking energy: -126.607
Base-Backbone interact. energy: -1.055
local terms energy: -147.060771
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -33.299
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -24.718
tors. eta vs tors. theta energy: -32.054
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: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -379.099789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.099789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.099789 (E_RNA)
where:
Base-Base interactions energy: -246.948
where: short stacking energy: -118.002
Base-Backbone interact. energy: -0.093
local terms energy: -132.058697
where:
bonds (distance) C4'-P energy: -26.984
bonds (distance) P-C4' energy: -28.555
flat angles C4'-P-C4' energy: -32.483
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -321.843380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.843380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.843380 (E_RNA)
where:
Base-Base interactions energy: -189.863
where: short stacking energy: -101.960
Base-Backbone interact. energy: -0.696
local terms energy: -131.284126
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -270.264418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.264418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.264418 (E_RNA)
where:
Base-Base interactions energy: -158.162
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.683
local terms energy: -111.418746
where:
bonds (distance) C4'-P energy: -29.110
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -31.587
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -239.485550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.485550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.485550 (E_RNA)
where:
Base-Base interactions energy: -120.499
where: short stacking energy: -64.215
Base-Backbone interact. energy: 0.469
local terms energy: -119.455297
where:
bonds (distance) C4'-P energy: -33.507
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -25.917
flat angles P-C4'-P energy: -25.096
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: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -162.065926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.065926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.065926 (E_RNA)
where:
Base-Base interactions energy: -58.748
where: short stacking energy: -55.340
Base-Backbone interact. energy: -0.480
local terms energy: -102.838414
where:
bonds (distance) C4'-P energy: -31.656
bonds (distance) P-C4' energy: -26.273
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -573.396267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.396267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.396267 (E_RNA)
where:
Base-Base interactions energy: -392.915
where: short stacking energy: -186.208
Base-Backbone interact. energy: -0.118
local terms energy: -180.363291
where:
bonds (distance) C4'-P energy: -35.517
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -49.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -545.259901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.259901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.259901 (E_RNA)
where:
Base-Base interactions energy: -358.960
where: short stacking energy: -171.059
Base-Backbone interact. energy: -0.764
local terms energy: -185.535902
where:
bonds (distance) C4'-P energy: -34.309
bonds (distance) P-C4' energy: -29.200
flat angles C4'-P-C4' energy: -44.882
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -48.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -528.870081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.870081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.870081 (E_RNA)
where:
Base-Base interactions energy: -341.726
where: short stacking energy: -179.302
Base-Backbone interact. energy: -0.183
local terms energy: -186.961104
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -37.613
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -54.050
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: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -487.229010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.229010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.229010 (E_RNA)
where:
Base-Base interactions energy: -321.971
where: short stacking energy: -161.127
Base-Backbone interact. energy: -0.407
local terms energy: -164.850719
where:
bonds (distance) C4'-P energy: -31.592
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -36.959
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: -40.254
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: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -443.566250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.566250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.566250 (E_RNA)
where:
Base-Base interactions energy: -286.758
where: short stacking energy: -139.474
Base-Backbone interact. energy: -0.475
local terms energy: -156.333343
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -18.550
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: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -358.590720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.590720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.590720 (E_RNA)
where:
Base-Base interactions energy: -216.039
where: short stacking energy: -109.264
Base-Backbone interact. energy: -0.770
local terms energy: -141.781412
where:
bonds (distance) C4'-P energy: -29.906
bonds (distance) P-C4' energy: -36.687
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -23.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -313.355138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.355138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.355138 (E_RNA)
where:
Base-Base interactions energy: -194.490
where: short stacking energy: -96.837
Base-Backbone interact. energy: 1.311
local terms energy: -120.175579
where:
bonds (distance) C4'-P energy: -26.728
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -27.822
flat angles P-C4'-P energy: -19.959
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -247.426690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.426690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.426690 (E_RNA)
where:
Base-Base interactions energy: -129.415
where: short stacking energy: -87.455
Base-Backbone interact. energy: 0.608
local terms energy: -118.619515
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -32.170
flat angles C4'-P-C4' energy: -33.596
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -244.950364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.950364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.950364 (E_RNA)
where:
Base-Base interactions energy: -137.174
where: short stacking energy: -72.440
Base-Backbone interact. energy: -0.501
local terms energy: -107.275506
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -29.572
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -8.689
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: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -171.274575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.274575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.274575 (E_RNA)
where:
Base-Base interactions energy: -58.469
where: short stacking energy: -56.396
Base-Backbone interact. energy: -0.853
local terms energy: -111.952458
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -4.726
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: 254
Temperature: 0.900000
Total energy: -561.749392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.749392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.749392 (E_RNA)
where:
Base-Base interactions energy: -378.882
where: short stacking energy: -176.918
Base-Backbone interact. energy: -1.587
local terms energy: -181.280362
where:
bonds (distance) C4'-P energy: -34.693
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -37.812
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -48.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -551.681980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.681980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.681980 (E_RNA)
where:
Base-Base interactions energy: -372.467
where: short stacking energy: -183.166
Base-Backbone interact. energy: -0.464
local terms energy: -178.751038
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -39.729
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -51.619
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: 254
Temperature: 1.000000
Total energy: -515.624219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.624219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.624219 (E_RNA)
where:
Base-Base interactions energy: -337.206
where: short stacking energy: -173.121
Base-Backbone interact. energy: -0.147
local terms energy: -178.271282
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -32.039
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -46.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -496.807886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.807886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.807886 (E_RNA)
where:
Base-Base interactions energy: -335.342
where: short stacking energy: -159.535
Base-Backbone interact. energy: -0.330
local terms energy: -161.135885
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -20.400
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: 5, replica: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -469.298279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.298279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.298279 (E_RNA)
where:
Base-Base interactions energy: -316.319
where: short stacking energy: -130.241
Base-Backbone interact. energy: -1.093
local terms energy: -151.886420
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -30.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -373.154604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.154604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.154604 (E_RNA)
where:
Base-Base interactions energy: -225.105
where: short stacking energy: -116.947
Base-Backbone interact. energy: -0.105
local terms energy: -147.944968
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -31.897
flat angles C4'-P-C4' energy: -31.328
flat angles P-C4'-P energy: -30.792
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: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -328.983141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.983141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.983141 (E_RNA)
where:
Base-Base interactions energy: -198.557
where: short stacking energy: -103.427
Base-Backbone interact. energy: -0.960
local terms energy: -129.466942
where:
bonds (distance) C4'-P energy: -35.581
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -258.806591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.806591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.806591 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -80.094
Base-Backbone interact. energy: -0.606
local terms energy: -116.909010
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -20.425
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: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -267.762156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.762156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.762156 (E_RNA)
where:
Base-Base interactions energy: -152.761
where: short stacking energy: -72.180
Base-Backbone interact. energy: -0.554
local terms energy: -114.446987
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -29.771
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -6.133
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: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -164.915673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.915673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.915673 (E_RNA)
where:
Base-Base interactions energy: -59.291
where: short stacking energy: -58.378
Base-Backbone interact. energy: -0.698
local terms energy: -104.926359
where:
bonds (distance) C4'-P energy: -34.735
bonds (distance) P-C4' energy: -30.871
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -557.984585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.984585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.984585 (E_RNA)
where:
Base-Base interactions energy: -368.068
where: short stacking energy: -180.706
Base-Backbone interact. energy: -0.427
local terms energy: -189.489494
where:
bonds (distance) C4'-P energy: -35.863
bonds (distance) P-C4' energy: -34.415
flat angles C4'-P-C4' energy: -39.661
flat angles P-C4'-P energy: -28.748
tors. eta vs tors. theta energy: -50.802
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: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -535.136976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.136976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.136976 (E_RNA)
where:
Base-Base interactions energy: -364.027
where: short stacking energy: -174.194
Base-Backbone interact. energy: -0.014
local terms energy: -171.096608
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -31.063
flat angles P-C4'-P energy: -25.489
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: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -534.094335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.094335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.094335 (E_RNA)
where:
Base-Base interactions energy: -360.509
where: short stacking energy: -168.957
Base-Backbone interact. energy: -0.205
local terms energy: -173.380047
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -37.729
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -40.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -497.290518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.290518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.290518 (E_RNA)
where:
Base-Base interactions energy: -336.458
where: short stacking energy: -167.100
Base-Backbone interact. energy: -0.540
local terms energy: -160.292695
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -40.518
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: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -467.990337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.990337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.990337 (E_RNA)
where:
Base-Base interactions energy: -311.719
where: short stacking energy: -144.238
Base-Backbone interact. energy: -0.203
local terms energy: -156.067771
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -37.026
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: -34.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -368.882275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.882275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.882275 (E_RNA)
where:
Base-Base interactions energy: -225.966
where: short stacking energy: -132.380
Base-Backbone interact. energy: -1.071
local terms energy: -141.844982
where:
bonds (distance) C4'-P energy: -34.092
bonds (distance) P-C4' energy: -30.683
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -35.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -344.953415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.953415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.953415 (E_RNA)
where:
Base-Base interactions energy: -207.824
where: short stacking energy: -105.271
Base-Backbone interact. energy: -2.144
local terms energy: -134.985989
where:
bonds (distance) C4'-P energy: -30.404
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -24.068
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: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -304.098901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.098901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.098901 (E_RNA)
where:
Base-Base interactions energy: -174.294
where: short stacking energy: -97.477
Base-Backbone interact. energy: -0.373
local terms energy: -129.432165
where:
bonds (distance) C4'-P energy: -35.537
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -11.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -241.141998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.141998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.141998 (E_RNA)
where:
Base-Base interactions energy: -128.914
where: short stacking energy: -77.972
Base-Backbone interact. energy: 1.399
local terms energy: -113.626621
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -29.309
flat angles C4'-P-C4' energy: -32.337
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -156.307151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.307151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.307151 (E_RNA)
where:
Base-Base interactions energy: -50.233
where: short stacking energy: -47.763
Base-Backbone interact. energy: 1.235
local terms energy: -107.308717
where:
bonds (distance) C4'-P energy: -27.766
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -5.663
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: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -567.745456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.745456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.745456 (E_RNA)
where:
Base-Base interactions energy: -372.523
where: short stacking energy: -188.741
Base-Backbone interact. energy: -0.045
local terms energy: -195.177177
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -34.894
flat angles C4'-P-C4' energy: -39.261
flat angles P-C4'-P energy: -28.331
tors. eta vs tors. theta energy: -57.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -550.576648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.576648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.576648 (E_RNA)
where:
Base-Base interactions energy: -379.144
where: short stacking energy: -187.144
Base-Backbone interact. energy: -0.536
local terms energy: -170.896802
where:
bonds (distance) C4'-P energy: -25.642
bonds (distance) P-C4' energy: -37.630
flat angles C4'-P-C4' energy: -35.508
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -553.416431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.416431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.416431 (E_RNA)
where:
Base-Base interactions energy: -386.816
where: short stacking energy: -183.087
Base-Backbone interact. energy: 2.319
local terms energy: -168.919235
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -34.735
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: -50.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -511.608762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.608762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.608762 (E_RNA)
where:
Base-Base interactions energy: -350.340
where: short stacking energy: -144.475
Base-Backbone interact. energy: -0.389
local terms energy: -160.879521
where:
bonds (distance) C4'-P energy: -36.123
bonds (distance) P-C4' energy: -37.226
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -482.704303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.704303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.704303 (E_RNA)
where:
Base-Base interactions energy: -316.685
where: short stacking energy: -147.896
Base-Backbone interact. energy: -0.366
local terms energy: -165.652815
where:
bonds (distance) C4'-P energy: -28.085
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -43.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -371.164802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.164802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.164802 (E_RNA)
where:
Base-Base interactions energy: -218.103
where: short stacking energy: -114.861
Base-Backbone interact. energy: -0.372
local terms energy: -152.689316
where:
bonds (distance) C4'-P energy: -30.981
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -39.442
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -31.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -374.677811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.677811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.677811 (E_RNA)
where:
Base-Base interactions energy: -235.791
where: short stacking energy: -123.877
Base-Backbone interact. energy: -0.044
local terms energy: -138.842862
where:
bonds (distance) C4'-P energy: -28.977
bonds (distance) P-C4' energy: -25.608
flat angles C4'-P-C4' energy: -37.147
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -33.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -314.145192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.145192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.145192 (E_RNA)
where:
Base-Base interactions energy: -193.655
where: short stacking energy: -107.524
Base-Backbone interact. energy: 0.244
local terms energy: -120.733920
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -35.656
flat angles C4'-P-C4' energy: -28.898
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -181.588019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.588019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.588019 (E_RNA)
where:
Base-Base interactions energy: -73.364
where: short stacking energy: -59.800
Base-Backbone interact. energy: -0.594
local terms energy: -107.629213
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -30.702
flat angles P-C4'-P energy: -11.389
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: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -259.537155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.537155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.537155 (E_RNA)
where:
Base-Base interactions energy: -129.791
where: short stacking energy: -60.886
Base-Backbone interact. energy: 0.981
local terms energy: -130.726796
where:
bonds (distance) C4'-P energy: -27.517
bonds (distance) P-C4' energy: -40.295
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -570.250718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.250718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.250718 (E_RNA)
where:
Base-Base interactions energy: -365.855
where: short stacking energy: -194.705
Base-Backbone interact. energy: -0.382
local terms energy: -204.014339
where:
bonds (distance) C4'-P energy: -36.749
bonds (distance) P-C4' energy: -39.602
flat angles C4'-P-C4' energy: -39.037
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -59.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -560.510961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.510961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.510961 (E_RNA)
where:
Base-Base interactions energy: -383.691
where: short stacking energy: -177.042
Base-Backbone interact. energy: -0.638
local terms energy: -176.181533
where:
bonds (distance) C4'-P energy: -27.770
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -40.953
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -45.363
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: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -525.441225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.441225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.441225 (E_RNA)
where:
Base-Base interactions energy: -342.573
where: short stacking energy: -163.408
Base-Backbone interact. energy: -0.238
local terms energy: -182.630185
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -36.732
flat angles C4'-P-C4' energy: -41.180
flat angles P-C4'-P energy: -30.505
tors. eta vs tors. theta energy: -46.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -495.460059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.460059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.460059 (E_RNA)
where:
Base-Base interactions energy: -340.423
where: short stacking energy: -146.131
Base-Backbone interact. energy: 2.749
local terms energy: -157.786721
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -24.215
tors. eta vs tors. theta energy: -42.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -448.495352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.495352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.495352 (E_RNA)
where:
Base-Base interactions energy: -299.130
where: short stacking energy: -140.650
Base-Backbone interact. energy: -0.406
local terms energy: -148.959673
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -40.040
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -36.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -390.128373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.128373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.128373 (E_RNA)
where:
Base-Base interactions energy: -231.321
where: short stacking energy: -121.680
Base-Backbone interact. energy: -0.371
local terms energy: -158.436642
where:
bonds (distance) C4'-P energy: -30.669
bonds (distance) P-C4' energy: -37.930
flat angles C4'-P-C4' energy: -36.564
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -28.949
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: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -364.013240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.013240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.013240 (E_RNA)
where:
Base-Base interactions energy: -215.478
where: short stacking energy: -109.245
Base-Backbone interact. energy: -1.342
local terms energy: -147.193147
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -32.071
flat angles P-C4'-P energy: -25.932
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: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -323.072827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.072827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.072827 (E_RNA)
where:
Base-Base interactions energy: -203.454
where: short stacking energy: -113.268
Base-Backbone interact. energy: 0.745
local terms energy: -120.364149
where:
bonds (distance) C4'-P energy: -27.116
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -24.406
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: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -201.813787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.813787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.813787 (E_RNA)
where:
Base-Base interactions energy: -92.179
where: short stacking energy: -55.727
Base-Backbone interact. energy: -0.437
local terms energy: -109.197729
where:
bonds (distance) C4'-P energy: -23.017
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -17.768
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: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -242.288424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.288424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.288424 (E_RNA)
where:
Base-Base interactions energy: -133.081
where: short stacking energy: -78.547
Base-Backbone interact. energy: -0.653
local terms energy: -108.554597
where:
bonds (distance) C4'-P energy: -33.279
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -556.039170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.039170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.039170 (E_RNA)
where:
Base-Base interactions energy: -371.398
where: short stacking energy: -173.041
Base-Backbone interact. energy: -0.967
local terms energy: -183.674147
where:
bonds (distance) C4'-P energy: -33.659
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -37.452
flat angles P-C4'-P energy: -28.782
tors. eta vs tors. theta energy: -50.393
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: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -546.920561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.920561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.920561 (E_RNA)
where:
Base-Base interactions energy: -369.184
where: short stacking energy: -184.090
Base-Backbone interact. energy: -0.065
local terms energy: -177.670932
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -40.518
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -52.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -511.530665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.530665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.530665 (E_RNA)
where:
Base-Base interactions energy: -341.075
where: short stacking energy: -169.007
Base-Backbone interact. energy: -1.112
local terms energy: -169.343052
where:
bonds (distance) C4'-P energy: -35.690
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -507.676836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.676836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.676836 (E_RNA)
where:
Base-Base interactions energy: -339.278
where: short stacking energy: -144.989
Base-Backbone interact. energy: -0.598
local terms energy: -167.800828
where:
bonds (distance) C4'-P energy: -37.032
bonds (distance) P-C4' energy: -32.299
flat angles C4'-P-C4' energy: -35.813
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -40.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -454.379691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.379691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.379691 (E_RNA)
where:
Base-Base interactions energy: -299.877
where: short stacking energy: -149.457
Base-Backbone interact. energy: -0.412
local terms energy: -154.089941
where:
bonds (distance) C4'-P energy: -36.223
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -30.386
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -39.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -397.918375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.918375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.918375 (E_RNA)
where:
Base-Base interactions energy: -251.429
where: short stacking energy: -127.222
Base-Backbone interact. energy: 0.996
local terms energy: -147.484921
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -31.357
flat angles C4'-P-C4' energy: -31.842
flat angles P-C4'-P energy: -20.398
tors. eta vs tors. theta energy: -32.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -372.795992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.795992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.795992 (E_RNA)
where:
Base-Base interactions energy: -247.583
where: short stacking energy: -129.285
Base-Backbone interact. energy: 2.056
local terms energy: -127.268269
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -30.608
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -28.286
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: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -322.003054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.003054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.003054 (E_RNA)
where:
Base-Base interactions energy: -197.645
where: short stacking energy: -108.183
Base-Backbone interact. energy: 2.541
local terms energy: -126.899183
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -26.410
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -30.334
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: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -243.432128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.432128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.432128 (E_RNA)
where:
Base-Base interactions energy: -123.362
where: short stacking energy: -81.764
Base-Backbone interact. energy: -0.508
local terms energy: -119.561839
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -26.873
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -154.247326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.247326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.247326 (E_RNA)
where:
Base-Base interactions energy: -51.229
where: short stacking energy: -47.915
Base-Backbone interact. energy: -0.114
local terms energy: -102.904558
where:
bonds (distance) C4'-P energy: -24.023
bonds (distance) P-C4' energy: -34.473
flat angles C4'-P-C4' energy: -26.052
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -556.570763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.570763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.570763 (E_RNA)
where:
Base-Base interactions energy: -381.561
where: short stacking energy: -169.025
Base-Backbone interact. energy: -0.641
local terms energy: -174.368346
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -37.296
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: -47.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -559.325729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.325729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.325729 (E_RNA)
where:
Base-Base interactions energy: -375.247
where: short stacking energy: -188.912
Base-Backbone interact. energy: -0.495
local terms energy: -183.583888
where:
bonds (distance) C4'-P energy: -31.281
bonds (distance) P-C4' energy: -34.230
flat angles C4'-P-C4' energy: -36.600
flat angles P-C4'-P energy: -26.861
tors. eta vs tors. theta energy: -54.613
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: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -528.087781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.087781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.087781 (E_RNA)
where:
Base-Base interactions energy: -352.368
where: short stacking energy: -173.515
Base-Backbone interact. energy: -0.462
local terms energy: -175.257859
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -34.576
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -515.623991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.623991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.623991 (E_RNA)
where:
Base-Base interactions energy: -333.889
where: short stacking energy: -160.053
Base-Backbone interact. energy: -0.450
local terms energy: -181.285085
where:
bonds (distance) C4'-P energy: -37.078
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -39.536
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -44.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -475.062196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.062196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.062196 (E_RNA)
where:
Base-Base interactions energy: -320.276
where: short stacking energy: -158.215
Base-Backbone interact. energy: 1.907
local terms energy: -156.693775
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -33.052
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -47.020
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: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -384.829095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.829095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.829095 (E_RNA)
where:
Base-Base interactions energy: -246.203
where: short stacking energy: -119.493
Base-Backbone interact. energy: 0.836
local terms energy: -139.461791
where:
bonds (distance) C4'-P energy: -28.373
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -33.225
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -360.601925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.601925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.601925 (E_RNA)
where:
Base-Base interactions energy: -219.048
where: short stacking energy: -110.407
Base-Backbone interact. energy: -0.386
local terms energy: -141.167830
where:
bonds (distance) C4'-P energy: -30.928
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -28.329
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -327.133687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.133687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.133687 (E_RNA)
where:
Base-Base interactions energy: -197.946
where: short stacking energy: -92.115
Base-Backbone interact. energy: 0.687
local terms energy: -129.874115
where:
bonds (distance) C4'-P energy: -32.042
bonds (distance) P-C4' energy: -33.183
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -18.299
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: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -243.060674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.060674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.060674 (E_RNA)
where:
Base-Base interactions energy: -139.576
where: short stacking energy: -78.185
Base-Backbone interact. energy: 1.093
local terms energy: -104.577042
where:
bonds (distance) C4'-P energy: -28.335
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -9.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -161.303714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.303714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.303714 (E_RNA)
where:
Base-Base interactions energy: -53.197
where: short stacking energy: -52.260
Base-Backbone interact. energy: 0.548
local terms energy: -108.654972
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -36.701
flat angles C4'-P-C4' energy: -32.202
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: 2.963
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: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -565.674778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.674778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.674778 (E_RNA)
where:
Base-Base interactions energy: -387.479
where: short stacking energy: -176.585
Base-Backbone interact. energy: -0.172
local terms energy: -178.023436
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -35.853
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -46.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -557.421507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.421507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.421507 (E_RNA)
where:
Base-Base interactions energy: -358.486
where: short stacking energy: -192.390
Base-Backbone interact. energy: 1.088
local terms energy: -200.023491
where:
bonds (distance) C4'-P energy: -36.822
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -58.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -518.533719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.533719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.533719 (E_RNA)
where:
Base-Base interactions energy: -346.493
where: short stacking energy: -169.710
Base-Backbone interact. energy: -0.887
local terms energy: -171.153715
where:
bonds (distance) C4'-P energy: -29.100
bonds (distance) P-C4' energy: -36.290
flat angles C4'-P-C4' energy: -35.391
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -47.741
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: 260
Temperature: 1.050000
Total energy: -513.819114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.819114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.819114 (E_RNA)
where:
Base-Base interactions energy: -350.403
where: short stacking energy: -162.465
Base-Backbone interact. energy: -0.023
local terms energy: -163.393436
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -40.794
flat angles C4'-P-C4' energy: -34.653
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -37.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -489.792755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.792755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.792755 (E_RNA)
where:
Base-Base interactions energy: -318.397
where: short stacking energy: -151.085
Base-Backbone interact. energy: 0.171
local terms energy: -171.566461
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -33.863
flat angles P-C4'-P energy: -29.198
tors. eta vs tors. theta energy: -46.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -372.958016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.958016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.958016 (E_RNA)
where:
Base-Base interactions energy: -240.252
where: short stacking energy: -119.025
Base-Backbone interact. energy: -0.446
local terms energy: -132.260009
where:
bonds (distance) C4'-P energy: -29.078
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -30.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -353.389088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.389088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.389088 (E_RNA)
where:
Base-Base interactions energy: -214.513
where: short stacking energy: -109.800
Base-Backbone interact. energy: -0.858
local terms energy: -138.017852
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -26.691
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: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -305.618014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.618014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.618014 (E_RNA)
where:
Base-Base interactions energy: -183.486
where: short stacking energy: -85.752
Base-Backbone interact. energy: 1.810
local terms energy: -123.942923
where:
bonds (distance) C4'-P energy: -32.084
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -16.486
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: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -278.356023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.356023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.356023 (E_RNA)
where:
Base-Base interactions energy: -160.283
where: short stacking energy: -82.580
Base-Backbone interact. energy: -0.566
local terms energy: -117.507770
where:
bonds (distance) C4'-P energy: -33.582
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -31.216
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -176.367086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.367086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.367086 (E_RNA)
where:
Base-Base interactions energy: -69.548
where: short stacking energy: -60.368
Base-Backbone interact. energy: 0.393
local terms energy: -107.212123
where:
bonds (distance) C4'-P energy: -25.593
bonds (distance) P-C4' energy: -30.904
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -562.189333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.189333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.189333 (E_RNA)
where:
Base-Base interactions energy: -375.742
where: short stacking energy: -180.256
Base-Backbone interact. energy: -0.289
local terms energy: -186.158989
where:
bonds (distance) C4'-P energy: -34.689
bonds (distance) P-C4' energy: -38.946
flat angles C4'-P-C4' energy: -35.619
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -48.129
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: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -556.410383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.410383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.410383 (E_RNA)
where:
Base-Base interactions energy: -365.539
where: short stacking energy: -188.642
Base-Backbone interact. energy: 2.581
local terms energy: -193.452052
where:
bonds (distance) C4'-P energy: -30.597
bonds (distance) P-C4' energy: -38.512
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -32.249
tors. eta vs tors. theta energy: -57.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -525.782782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.782782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.782782 (E_RNA)
where:
Base-Base interactions energy: -353.679
where: short stacking energy: -168.955
Base-Backbone interact. energy: -0.438
local terms energy: -171.666022
where:
bonds (distance) C4'-P energy: -31.706
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -23.519
tors. eta vs tors. theta energy: -47.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -485.385573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.385573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.385573 (E_RNA)
where:
Base-Base interactions energy: -330.741
where: short stacking energy: -144.356
Base-Backbone interact. energy: -0.822
local terms energy: -153.822062
where:
bonds (distance) C4'-P energy: -28.250
bonds (distance) P-C4' energy: -32.439
flat angles C4'-P-C4' energy: -31.708
flat angles P-C4'-P energy: -20.340
tors. eta vs tors. theta energy: -41.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -480.976612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.976612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.976612 (E_RNA)
where:
Base-Base interactions energy: -315.582
where: short stacking energy: -147.084
Base-Backbone interact. energy: -0.084
local terms energy: -165.309943
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -47.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -348.524690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.524690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.524690 (E_RNA)
where:
Base-Base interactions energy: -218.147
where: short stacking energy: -105.576
Base-Backbone interact. energy: 1.558
local terms energy: -131.935793
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -20.022
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: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -360.513160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.513160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.513160 (E_RNA)
where:
Base-Base interactions energy: -222.395
where: short stacking energy: -104.719
Base-Backbone interact. energy: 0.223
local terms energy: -138.340696
where:
bonds (distance) C4'-P energy: -31.399
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -26.845
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: 261
Temperature: 1.250000
Total energy: -309.065855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.065855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.065855 (E_RNA)
where:
Base-Base interactions energy: -182.656
where: short stacking energy: -72.154
Base-Backbone interact. energy: -1.033
local terms energy: -125.376976
where:
bonds (distance) C4'-P energy: -37.438
bonds (distance) P-C4' energy: -30.319
flat angles C4'-P-C4' energy: -25.178
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -15.492
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: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -282.221201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.221201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.221201 (E_RNA)
where:
Base-Base interactions energy: -173.020
where: short stacking energy: -79.908
Base-Backbone interact. energy: -0.680
local terms energy: -108.520978
where:
bonds (distance) C4'-P energy: -22.992
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -32.812
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -153.110245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.110245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.110245 (E_RNA)
where:
Base-Base interactions energy: -52.082
where: short stacking energy: -51.510
Base-Backbone interact. energy: 2.984
local terms energy: -104.012668
where:
bonds (distance) C4'-P energy: -30.287
bonds (distance) P-C4' energy: -35.333
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: 5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -560.314396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.314396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.314396 (E_RNA)
where:
Base-Base interactions energy: -378.311
where: short stacking energy: -180.683
Base-Backbone interact. energy: -0.090
local terms energy: -181.912888
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -39.710
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -51.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -564.231339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.231339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.231339 (E_RNA)
where:
Base-Base interactions energy: -379.790
where: short stacking energy: -182.212
Base-Backbone interact. energy: -0.036
local terms energy: -184.404848
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -31.823
flat angles C4'-P-C4' energy: -36.859
flat angles P-C4'-P energy: -26.249
tors. eta vs tors. theta energy: -54.002
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: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -515.093149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.093149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.093149 (E_RNA)
where:
Base-Base interactions energy: -346.758
where: short stacking energy: -165.198
Base-Backbone interact. energy: -0.925
local terms energy: -167.409815
where:
bonds (distance) C4'-P energy: -34.188
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -36.112
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -45.700
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: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -508.200805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.200805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.200805 (E_RNA)
where:
Base-Base interactions energy: -344.275
where: short stacking energy: -145.297
Base-Backbone interact. energy: 0.320
local terms energy: -164.245714
where:
bonds (distance) C4'-P energy: -37.242
bonds (distance) P-C4' energy: -32.590
flat angles C4'-P-C4' energy: -36.251
flat angles P-C4'-P energy: -21.219
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: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -466.891980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.891980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.891980 (E_RNA)
where:
Base-Base interactions energy: -297.542
where: short stacking energy: -132.338
Base-Backbone interact. energy: 1.445
local terms energy: -170.795214
where:
bonds (distance) C4'-P energy: -31.276
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -40.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -375.208853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.208853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.208853 (E_RNA)
where:
Base-Base interactions energy: -223.780
where: short stacking energy: -113.436
Base-Backbone interact. energy: -0.149
local terms energy: -151.279033
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -34.222
flat angles C4'-P-C4' energy: -35.086
flat angles P-C4'-P energy: -25.178
tors. eta vs tors. theta energy: -24.725
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: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -349.727600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.727600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.727600 (E_RNA)
where:
Base-Base interactions energy: -213.573
where: short stacking energy: -102.338
Base-Backbone interact. energy: 0.870
local terms energy: -137.024033
where:
bonds (distance) C4'-P energy: -36.750
bonds (distance) P-C4' energy: -27.743
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -333.098710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.098710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.098710 (E_RNA)
where:
Base-Base interactions energy: -185.760
where: short stacking energy: -102.456
Base-Backbone interact. energy: -1.526
local terms energy: -145.812653
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -31.679
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: -25.184
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: 262
Temperature: 1.300000
Total energy: -298.370690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.370690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.370690 (E_RNA)
where:
Base-Base interactions energy: -176.154
where: short stacking energy: -82.236
Base-Backbone interact. energy: -0.619
local terms energy: -121.598317
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -33.222
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -13.114
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: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -167.929263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.929263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.929263 (E_RNA)
where:
Base-Base interactions energy: -61.345
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.595
local terms energy: -105.989493
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -31.505
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -3.444
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: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -577.275109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.275109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.275109 (E_RNA)
where:
Base-Base interactions energy: -394.287
where: short stacking energy: -187.194
Base-Backbone interact. energy: 1.337
local terms energy: -184.325102
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -36.588
flat angles C4'-P-C4' energy: -37.331
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -50.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -559.678599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.678599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.678599 (E_RNA)
where:
Base-Base interactions energy: -374.860
where: short stacking energy: -192.333
Base-Backbone interact. energy: -0.138
local terms energy: -184.681351
where:
bonds (distance) C4'-P energy: -39.075
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -41.662
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -56.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -525.450721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.450721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.450721 (E_RNA)
where:
Base-Base interactions energy: -352.168
where: short stacking energy: -171.425
Base-Backbone interact. energy: -1.146
local terms energy: -172.136953
where:
bonds (distance) C4'-P energy: -35.374
bonds (distance) P-C4' energy: -29.480
flat angles C4'-P-C4' energy: -36.007
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -47.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -478.429651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.429651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.429651 (E_RNA)
where:
Base-Base interactions energy: -327.871
where: short stacking energy: -143.073
Base-Backbone interact. energy: -1.732
local terms energy: -148.825777
where:
bonds (distance) C4'-P energy: -37.520
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -24.931
tors. eta vs tors. theta energy: -30.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -482.124342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.124342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.124342 (E_RNA)
where:
Base-Base interactions energy: -321.895
where: short stacking energy: -157.033
Base-Backbone interact. energy: -0.257
local terms energy: -159.972519
where:
bonds (distance) C4'-P energy: -29.517
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -36.295
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -41.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -373.870803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.870803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.870803 (E_RNA)
where:
Base-Base interactions energy: -243.143
where: short stacking energy: -116.854
Base-Backbone interact. energy: -0.809
local terms energy: -129.918496
where:
bonds (distance) C4'-P energy: -26.473
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -33.691
flat angles P-C4'-P energy: -20.993
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -359.204639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.204639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.204639 (E_RNA)
where:
Base-Base interactions energy: -226.064
where: short stacking energy: -117.038
Base-Backbone interact. energy: -0.495
local terms energy: -132.645292
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -309.681485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.681485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.681485 (E_RNA)
where:
Base-Base interactions energy: -197.747
where: short stacking energy: -96.102
Base-Backbone interact. energy: 1.567
local terms energy: -113.501202
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -28.989
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -306.769886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.769886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.769886 (E_RNA)
where:
Base-Base interactions energy: -187.031
where: short stacking energy: -79.116
Base-Backbone interact. energy: -2.520
local terms energy: -117.219329
where:
bonds (distance) C4'-P energy: -27.873
bonds (distance) P-C4' energy: -31.926
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -152.271359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.271359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.271359 (E_RNA)
where:
Base-Base interactions energy: -53.158
where: short stacking energy: -44.488
Base-Backbone interact. energy: -0.856
local terms energy: -98.257308
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -25.296
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -564.835697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.835697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.835697 (E_RNA)
where:
Base-Base interactions energy: -378.028
where: short stacking energy: -184.317
Base-Backbone interact. energy: -1.025
local terms energy: -185.782230
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -35.865
flat angles C4'-P-C4' energy: -40.766
flat angles P-C4'-P energy: -28.485
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: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -548.177794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.177794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.177794 (E_RNA)
where:
Base-Base interactions energy: -359.220
where: short stacking energy: -182.977
Base-Backbone interact. energy: -0.106
local terms energy: -188.851229
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -39.843
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -56.316
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: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -527.682079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.682079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.682079 (E_RNA)
where:
Base-Base interactions energy: -356.436
where: short stacking energy: -167.393
Base-Backbone interact. energy: 0.016
local terms energy: -171.262906
where:
bonds (distance) C4'-P energy: -26.069
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -41.294
flat angles P-C4'-P energy: -29.166
tors. eta vs tors. theta energy: -42.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -470.715158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.715158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.715158 (E_RNA)
where:
Base-Base interactions energy: -327.374
where: short stacking energy: -147.799
Base-Backbone interact. energy: -0.050
local terms energy: -143.290269
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -32.094
flat angles C4'-P-C4' energy: -30.945
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -30.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -465.588207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.588207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.588207 (E_RNA)
where:
Base-Base interactions energy: -302.005
where: short stacking energy: -144.386
Base-Backbone interact. energy: -0.284
local terms energy: -163.299081
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -39.061
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -26.058
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: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -395.670105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.670105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.670105 (E_RNA)
where:
Base-Base interactions energy: -253.693
where: short stacking energy: -127.204
Base-Backbone interact. energy: -0.800
local terms energy: -141.176283
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -39.452
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -21.887
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: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -356.737076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.737076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.737076 (E_RNA)
where:
Base-Base interactions energy: -221.329
where: short stacking energy: -114.992
Base-Backbone interact. energy: -0.188
local terms energy: -135.219805
where:
bonds (distance) C4'-P energy: -31.811
bonds (distance) P-C4' energy: -30.363
flat angles C4'-P-C4' energy: -35.818
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -21.548
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: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -320.901562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.901562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.901562 (E_RNA)
where:
Base-Base interactions energy: -203.260
where: short stacking energy: -86.383
Base-Backbone interact. energy: 0.075
local terms energy: -117.716032
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -19.882
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: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -313.392525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.392525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.392525 (E_RNA)
where:
Base-Base interactions energy: -187.589
where: short stacking energy: -95.247
Base-Backbone interact. energy: 0.884
local terms energy: -126.687704
where:
bonds (distance) C4'-P energy: -28.435
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -145.555875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.555875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.555875 (E_RNA)
where:
Base-Base interactions energy: -51.315
where: short stacking energy: -43.927
Base-Backbone interact. energy: -0.809
local terms energy: -93.431500
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -18.661
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: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -571.822210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.822210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.822210 (E_RNA)
where:
Base-Base interactions energy: -375.652
where: short stacking energy: -186.277
Base-Backbone interact. energy: -3.316
local terms energy: -192.854152
where:
bonds (distance) C4'-P energy: -34.385
bonds (distance) P-C4' energy: -32.391
flat angles C4'-P-C4' energy: -38.667
flat angles P-C4'-P energy: -30.742
tors. eta vs tors. theta energy: -56.669
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: 265
Temperature: 0.950000
Total energy: -566.161003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.161003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.161003 (E_RNA)
where:
Base-Base interactions energy: -380.973
where: short stacking energy: -202.029
Base-Backbone interact. energy: -0.008
local terms energy: -185.180050
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -39.842
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -52.777
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: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -533.809381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.809381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.809381 (E_RNA)
where:
Base-Base interactions energy: -355.163
where: short stacking energy: -170.493
Base-Backbone interact. energy: 0.285
local terms energy: -178.931581
where:
bonds (distance) C4'-P energy: -30.725
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -34.270
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -51.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -496.377171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.377171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.377171 (E_RNA)
where:
Base-Base interactions energy: -336.675
where: short stacking energy: -163.714
Base-Backbone interact. energy: -0.103
local terms energy: -159.598951
where:
bonds (distance) C4'-P energy: -31.472
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -31.239
flat angles P-C4'-P energy: -21.491
tors. eta vs tors. theta energy: -47.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -477.007784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.007784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.007784 (E_RNA)
where:
Base-Base interactions energy: -307.942
where: short stacking energy: -142.778
Base-Backbone interact. energy: -0.520
local terms energy: -168.546059
where:
bonds (distance) C4'-P energy: -31.995
bonds (distance) P-C4' energy: -37.461
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -34.502
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: 265
Temperature: 1.150000
Total energy: -389.622432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.622432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.622432 (E_RNA)
where:
Base-Base interactions energy: -257.798
where: short stacking energy: -131.295
Base-Backbone interact. energy: 1.199
local terms energy: -133.023442
where:
bonds (distance) C4'-P energy: -24.394
bonds (distance) P-C4' energy: -29.722
flat angles C4'-P-C4' energy: -32.546
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -23.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -387.968809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.968809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.968809 (E_RNA)
where:
Base-Base interactions energy: -253.113
where: short stacking energy: -111.844
Base-Backbone interact. energy: -0.292
local terms energy: -134.563528
where:
bonds (distance) C4'-P energy: -28.190
bonds (distance) P-C4' energy: -34.777
flat angles C4'-P-C4' energy: -27.969
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -26.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -320.834611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.834611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.834611 (E_RNA)
where:
Base-Base interactions energy: -200.731
where: short stacking energy: -100.837
Base-Backbone interact. energy: -1.092
local terms energy: -119.012216
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -32.269
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -15.694
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: 265
Temperature: 1.300000
Total energy: -295.053607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.053607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.053607 (E_RNA)
where:
Base-Base interactions energy: -178.817
where: short stacking energy: -87.421
Base-Backbone interact. energy: -0.660
local terms energy: -115.576786
where:
bonds (distance) C4'-P energy: -26.636
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -156.532180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.532180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.532180 (E_RNA)
where:
Base-Base interactions energy: -59.590
where: short stacking energy: -59.590
Base-Backbone interact. energy: 0.855
local terms energy: -97.796566
where:
bonds (distance) C4'-P energy: -25.407
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: 2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -564.050488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.050488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.050488 (E_RNA)
where:
Base-Base interactions energy: -378.112
where: short stacking energy: -184.985
Base-Backbone interact. energy: -0.058
local terms energy: -185.880361
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -30.000
flat angles C4'-P-C4' energy: -42.306
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -53.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -580.861941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.861941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.861941 (E_RNA)
where:
Base-Base interactions energy: -384.493
where: short stacking energy: -184.396
Base-Backbone interact. energy: -0.161
local terms energy: -196.207839
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -42.659
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -28.814
tors. eta vs tors. theta energy: -53.894
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: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -509.940988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.940988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.940988 (E_RNA)
where:
Base-Base interactions energy: -332.363
where: short stacking energy: -160.984
Base-Backbone interact. energy: -0.226
local terms energy: -177.351865
where:
bonds (distance) C4'-P energy: -35.835
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -34.881
flat angles P-C4'-P energy: -28.711
tors. eta vs tors. theta energy: -43.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -502.304313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.304313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.304313 (E_RNA)
where:
Base-Base interactions energy: -345.672
where: short stacking energy: -154.175
Base-Backbone interact. energy: -0.976
local terms energy: -155.655553
where:
bonds (distance) C4'-P energy: -30.988
bonds (distance) P-C4' energy: -29.547
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -26.232
tors. eta vs tors. theta energy: -37.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -478.050405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.050405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.050405 (E_RNA)
where:
Base-Base interactions energy: -322.191
where: short stacking energy: -149.276
Base-Backbone interact. energy: -1.284
local terms energy: -154.575281
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -37.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -393.959658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.959658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.959658 (E_RNA)
where:
Base-Base interactions energy: -254.429
where: short stacking energy: -140.797
Base-Backbone interact. energy: -1.571
local terms energy: -137.959284
where:
bonds (distance) C4'-P energy: -29.966
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -31.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -342.957175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.957175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.957175 (E_RNA)
where:
Base-Base interactions energy: -197.775
where: short stacking energy: -93.961
Base-Backbone interact. energy: -0.599
local terms energy: -144.583009
where:
bonds (distance) C4'-P energy: -31.721
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -30.743
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -309.838377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.838377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.838377 (E_RNA)
where:
Base-Base interactions energy: -183.430
where: short stacking energy: -81.767
Base-Backbone interact. energy: -0.745
local terms energy: -125.663468
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -37.665
flat angles C4'-P-C4' energy: -34.693
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -302.208949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.208949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.208949 (E_RNA)
where:
Base-Base interactions energy: -179.370
where: short stacking energy: -85.517
Base-Backbone interact. energy: -0.798
local terms energy: -122.041511
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -32.406
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -164.542846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.542846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.542846 (E_RNA)
where:
Base-Base interactions energy: -57.018
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.384
local terms energy: -107.140583
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -564.111970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.111970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.111970 (E_RNA)
where:
Base-Base interactions energy: -379.721
where: short stacking energy: -195.897
Base-Backbone interact. energy: 0.104
local terms energy: -184.495718
where:
bonds (distance) C4'-P energy: -29.082
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -38.215
flat angles P-C4'-P energy: -27.729
tors. eta vs tors. theta energy: -57.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -567.142999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.142999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.142999 (E_RNA)
where:
Base-Base interactions energy: -380.795
where: short stacking energy: -181.835
Base-Backbone interact. energy: 0.673
local terms energy: -187.021475
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: -54.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -492.726075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.726075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.726075 (E_RNA)
where:
Base-Base interactions energy: -323.254
where: short stacking energy: -155.116
Base-Backbone interact. energy: -0.514
local terms energy: -168.957207
where:
bonds (distance) C4'-P energy: -34.534
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -38.421
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -40.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -490.931769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.931769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.931769 (E_RNA)
where:
Base-Base interactions energy: -339.009
where: short stacking energy: -158.203
Base-Backbone interact. energy: 0.946
local terms energy: -152.868295
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -35.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -485.903400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.903400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.903400 (E_RNA)
where:
Base-Base interactions energy: -322.734
where: short stacking energy: -162.834
Base-Backbone interact. energy: -0.512
local terms energy: -162.657926
where:
bonds (distance) C4'-P energy: -34.498
bonds (distance) P-C4' energy: -30.008
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -45.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -384.537997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.537997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.537997 (E_RNA)
where:
Base-Base interactions energy: -239.755
where: short stacking energy: -125.593
Base-Backbone interact. energy: -0.093
local terms energy: -144.690009
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -36.052
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -27.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -340.408652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.408652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.408652 (E_RNA)
where:
Base-Base interactions energy: -210.085
where: short stacking energy: -103.538
Base-Backbone interact. energy: -0.035
local terms energy: -130.288660
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -32.527
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -317.375495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.375495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.375495 (E_RNA)
where:
Base-Base interactions energy: -188.201
where: short stacking energy: -91.156
Base-Backbone interact. energy: -0.484
local terms energy: -128.690569
where:
bonds (distance) C4'-P energy: -28.118
bonds (distance) P-C4' energy: -39.389
flat angles C4'-P-C4' energy: -30.767
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -315.899897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.899897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.899897 (E_RNA)
where:
Base-Base interactions energy: -187.218
where: short stacking energy: -92.715
Base-Backbone interact. energy: -0.828
local terms energy: -127.854093
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -16.186
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: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -170.750149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.750149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.750149 (E_RNA)
where:
Base-Base interactions energy: -89.846
where: short stacking energy: -50.896
Base-Backbone interact. energy: 1.356
local terms energy: -82.259367
where:
bonds (distance) C4'-P energy: -32.238
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -24.835
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: 3.406
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: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -570.911804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.911804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.911804 (E_RNA)
where:
Base-Base interactions energy: -375.612
where: short stacking energy: -187.677
Base-Backbone interact. energy: -0.064
local terms energy: -195.235385
where:
bonds (distance) C4'-P energy: -35.478
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -41.017
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -54.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -541.493988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.493988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.493988 (E_RNA)
where:
Base-Base interactions energy: -361.271
where: short stacking energy: -171.796
Base-Backbone interact. energy: -0.211
local terms energy: -180.011524
where:
bonds (distance) C4'-P energy: -33.454
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -35.611
tors. eta vs tors. theta energy: -47.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -536.032091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.032091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.032091 (E_RNA)
where:
Base-Base interactions energy: -363.850
where: short stacking energy: -162.153
Base-Backbone interact. energy: -0.464
local terms energy: -171.718313
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -34.343
flat angles C4'-P-C4' energy: -37.202
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -42.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -484.689399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.689399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.689399 (E_RNA)
where:
Base-Base interactions energy: -321.269
where: short stacking energy: -155.241
Base-Backbone interact. energy: -0.629
local terms energy: -162.791049
where:
bonds (distance) C4'-P energy: -35.413
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -35.980
flat angles P-C4'-P energy: -22.141
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: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -487.882290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.882290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.882290 (E_RNA)
where:
Base-Base interactions energy: -317.433
where: short stacking energy: -147.111
Base-Backbone interact. energy: 1.008
local terms energy: -171.457473
where:
bonds (distance) C4'-P energy: -31.985
bonds (distance) P-C4' energy: -39.793
flat angles C4'-P-C4' energy: -34.883
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -40.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -385.021342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.021342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.021342 (E_RNA)
where:
Base-Base interactions energy: -243.412
where: short stacking energy: -109.356
Base-Backbone interact. energy: -0.915
local terms energy: -140.693975
where:
bonds (distance) C4'-P energy: -26.026
bonds (distance) P-C4' energy: -34.835
flat angles C4'-P-C4' energy: -33.256
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -28.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -352.408291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.408291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.408291 (E_RNA)
where:
Base-Base interactions energy: -231.921
where: short stacking energy: -121.936
Base-Backbone interact. energy: -0.266
local terms energy: -120.221613
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -27.674
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -336.610518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.610518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.610518 (E_RNA)
where:
Base-Base interactions energy: -203.316
where: short stacking energy: -110.335
Base-Backbone interact. energy: 0.690
local terms energy: -133.984541
where:
bonds (distance) C4'-P energy: -33.978
bonds (distance) P-C4' energy: -29.539
flat angles C4'-P-C4' energy: -31.045
flat angles P-C4'-P energy: -21.883
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: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -309.777102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.777102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.777102 (E_RNA)
where:
Base-Base interactions energy: -184.689
where: short stacking energy: -85.562
Base-Backbone interact. energy: -1.060
local terms energy: -124.027448
where:
bonds (distance) C4'-P energy: -28.236
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -218.760087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.760087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.760087 (E_RNA)
where:
Base-Base interactions energy: -113.062
where: short stacking energy: -64.775
Base-Backbone interact. energy: 0.096
local terms energy: -105.794167
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -32.178
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -568.127337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.127337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.127337 (E_RNA)
where:
Base-Base interactions energy: -381.711
where: short stacking energy: -180.219
Base-Backbone interact. energy: -0.839
local terms energy: -185.577783
where:
bonds (distance) C4'-P energy: -32.225
bonds (distance) P-C4' energy: -34.594
flat angles C4'-P-C4' energy: -35.021
flat angles P-C4'-P energy: -31.528
tors. eta vs tors. theta energy: -52.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -560.231704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.231704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.231704 (E_RNA)
where:
Base-Base interactions energy: -373.855
where: short stacking energy: -183.750
Base-Backbone interact. energy: -1.275
local terms energy: -185.101690
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -32.243
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: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -538.858272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.858272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.858272 (E_RNA)
where:
Base-Base interactions energy: -357.236
where: short stacking energy: -159.219
Base-Backbone interact. energy: -0.581
local terms energy: -181.041627
where:
bonds (distance) C4'-P energy: -40.870
bonds (distance) P-C4' energy: -33.830
flat angles C4'-P-C4' energy: -34.241
flat angles P-C4'-P energy: -25.324
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: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -503.473160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.473160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.473160 (E_RNA)
where:
Base-Base interactions energy: -344.363
where: short stacking energy: -162.673
Base-Backbone interact. energy: -0.020
local terms energy: -159.090187
where:
bonds (distance) C4'-P energy: -26.314
bonds (distance) P-C4' energy: -32.143
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -45.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -507.745336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.745336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.745336 (E_RNA)
where:
Base-Base interactions energy: -338.443
where: short stacking energy: -152.320
Base-Backbone interact. energy: -0.729
local terms energy: -168.572522
where:
bonds (distance) C4'-P energy: -30.784
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -37.182
flat angles P-C4'-P energy: -24.614
tors. eta vs tors. theta energy: -41.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -387.658832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.658832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.658832 (E_RNA)
where:
Base-Base interactions energy: -242.528
where: short stacking energy: -132.993
Base-Backbone interact. energy: -0.430
local terms energy: -144.701034
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -29.456
flat angles C4'-P-C4' energy: -36.210
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -30.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -328.276635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.276635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.276635 (E_RNA)
where:
Base-Base interactions energy: -193.784
where: short stacking energy: -88.012
Base-Backbone interact. energy: -0.103
local terms energy: -134.389504
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -34.061
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -14.998
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: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -331.917853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.917853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.917853 (E_RNA)
where:
Base-Base interactions energy: -191.865
where: short stacking energy: -100.293
Base-Backbone interact. energy: -0.208
local terms energy: -139.844913
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -35.606
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -312.590795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.590795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.590795 (E_RNA)
where:
Base-Base interactions energy: -188.688
where: short stacking energy: -101.929
Base-Backbone interact. energy: -0.457
local terms energy: -123.446635
where:
bonds (distance) C4'-P energy: -26.593
bonds (distance) P-C4' energy: -25.155
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -25.630
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: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -225.483416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.483416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.483416 (E_RNA)
where:
Base-Base interactions energy: -110.735
where: short stacking energy: -59.439
Base-Backbone interact. energy: 1.450
local terms energy: -116.199152
where:
bonds (distance) C4'-P energy: -28.354
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -28.538
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -571.300447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.300447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.300447 (E_RNA)
where:
Base-Base interactions energy: -378.844
where: short stacking energy: -186.858
Base-Backbone interact. energy: -0.105
local terms energy: -192.351479
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -40.708
flat angles C4'-P-C4' energy: -39.212
flat angles P-C4'-P energy: -26.488
tors. eta vs tors. theta energy: -52.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -559.932730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.932730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.932730 (E_RNA)
where:
Base-Base interactions energy: -373.238
where: short stacking energy: -184.435
Base-Backbone interact. energy: -0.413
local terms energy: -186.281479
where:
bonds (distance) C4'-P energy: -36.955
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -39.388
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -52.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -521.756981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.756981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.756981 (E_RNA)
where:
Base-Base interactions energy: -342.955
where: short stacking energy: -169.114
Base-Backbone interact. energy: -0.120
local terms energy: -178.682125
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -28.822
tors. eta vs tors. theta energy: -45.346
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: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -489.238927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.238927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.238927 (E_RNA)
where:
Base-Base interactions energy: -338.516
where: short stacking energy: -145.400
Base-Backbone interact. energy: -0.361
local terms energy: -150.361344
where:
bonds (distance) C4'-P energy: -28.229
bonds (distance) P-C4' energy: -31.857
flat angles C4'-P-C4' energy: -33.855
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -37.299
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: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -491.448723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.448723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.448723 (E_RNA)
where:
Base-Base interactions energy: -332.613
where: short stacking energy: -141.161
Base-Backbone interact. energy: -1.112
local terms energy: -157.723697
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -26.411
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -40.913
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: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -398.097730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.097730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.097730 (E_RNA)
where:
Base-Base interactions energy: -253.694
where: short stacking energy: -129.919
Base-Backbone interact. energy: -0.519
local terms energy: -143.884979
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -28.493
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -29.576
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: 270
Temperature: 1.200000
Total energy: -344.213627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.213627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.213627 (E_RNA)
where:
Base-Base interactions energy: -207.581
where: short stacking energy: -107.434
Base-Backbone interact. energy: -0.699
local terms energy: -135.933771
where:
bonds (distance) C4'-P energy: -27.001
bonds (distance) P-C4' energy: -32.894
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -17.392
tors. eta vs tors. theta energy: -25.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -308.723176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.723176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.723176 (E_RNA)
where:
Base-Base interactions energy: -188.579
where: short stacking energy: -87.992
Base-Backbone interact. energy: -0.051
local terms energy: -120.093496
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -31.699
flat angles C4'-P-C4' energy: -27.917
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -313.769916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.769916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.769916 (E_RNA)
where:
Base-Base interactions energy: -172.534
where: short stacking energy: -83.499
Base-Backbone interact. energy: -0.384
local terms energy: -140.852280
where:
bonds (distance) C4'-P energy: -37.815
bonds (distance) P-C4' energy: -32.681
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -18.885
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: 270
Temperature: 1.350000
Total energy: -215.225537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.225537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.225537 (E_RNA)
where:
Base-Base interactions energy: -110.902
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.474
local terms energy: -103.849560
where:
bonds (distance) C4'-P energy: -29.211
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -25.380
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -561.750149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.750149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.750149 (E_RNA)
where:
Base-Base interactions energy: -367.396
where: short stacking energy: -171.067
Base-Backbone interact. energy: -0.026
local terms energy: -194.327883
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -38.473
flat angles C4'-P-C4' energy: -40.067
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -49.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -524.447172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.447172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.447172 (E_RNA)
where:
Base-Base interactions energy: -341.711
where: short stacking energy: -179.675
Base-Backbone interact. energy: -0.499
local terms energy: -182.237102
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -38.967
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -51.607
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: 271
Temperature: 1.000000
Total energy: -544.334475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.334475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.334475 (E_RNA)
where:
Base-Base interactions energy: -359.691
where: short stacking energy: -194.605
Base-Backbone interact. energy: -0.293
local terms energy: -184.350748
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -42.017
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -53.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -520.387420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.387420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.387420 (E_RNA)
where:
Base-Base interactions energy: -345.839
where: short stacking energy: -154.011
Base-Backbone interact. energy: -0.337
local terms energy: -174.212212
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -38.424
flat angles C4'-P-C4' energy: -32.682
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -43.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -465.013838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.013838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.013838 (E_RNA)
where:
Base-Base interactions energy: -325.656
where: short stacking energy: -154.045
Base-Backbone interact. energy: -0.273
local terms energy: -139.084638
where:
bonds (distance) C4'-P energy: -26.368
bonds (distance) P-C4' energy: -30.800
flat angles C4'-P-C4' energy: -30.499
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -42.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -406.803451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.803451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.803451 (E_RNA)
where:
Base-Base interactions energy: -256.468
where: short stacking energy: -149.179
Base-Backbone interact. energy: -0.261
local terms energy: -150.074941
where:
bonds (distance) C4'-P energy: -33.138
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: -34.027
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: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -337.343903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.343903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.343903 (E_RNA)
where:
Base-Base interactions energy: -201.662
where: short stacking energy: -89.633
Base-Backbone interact. energy: -0.376
local terms energy: -135.305745
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -37.929
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -328.137626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.137626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.137626 (E_RNA)
where:
Base-Base interactions energy: -204.099
where: short stacking energy: -104.465
Base-Backbone interact. energy: -0.946
local terms energy: -123.092467
where:
bonds (distance) C4'-P energy: -26.547
bonds (distance) P-C4' energy: -38.737
flat angles C4'-P-C4' energy: -27.381
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -306.052116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.052116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.052116 (E_RNA)
where:
Base-Base interactions energy: -200.125
where: short stacking energy: -93.352
Base-Backbone interact. energy: 1.365
local terms energy: -107.292237
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -29.244
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -210.337977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.337977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.337977 (E_RNA)
where:
Base-Base interactions energy: -101.654
where: short stacking energy: -53.348
Base-Backbone interact. energy: 0.333
local terms energy: -109.017660
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -39.562
flat angles C4'-P-C4' energy: -33.002
flat angles P-C4'-P energy: -21.760
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: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -564.191595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.191595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.191595 (E_RNA)
where:
Base-Base interactions energy: -369.744
where: short stacking energy: -177.305
Base-Backbone interact. energy: -0.036
local terms energy: -194.412167
where:
bonds (distance) C4'-P energy: -37.697
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -38.605
flat angles P-C4'-P energy: -28.015
tors. eta vs tors. theta energy: -54.393
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: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -543.201750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.201750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.201750 (E_RNA)
where:
Base-Base interactions energy: -351.797
where: short stacking energy: -172.496
Base-Backbone interact. energy: -0.352
local terms energy: -191.052254
where:
bonds (distance) C4'-P energy: -38.095
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -42.521
flat angles P-C4'-P energy: -29.525
tors. eta vs tors. theta energy: -45.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -525.036473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.036473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.036473 (E_RNA)
where:
Base-Base interactions energy: -358.517
where: short stacking energy: -173.986
Base-Backbone interact. energy: 1.681
local terms energy: -168.200567
where:
bonds (distance) C4'-P energy: -36.865
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -34.613
flat angles P-C4'-P energy: -21.423
tors. eta vs tors. theta energy: -46.217
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: 272
Temperature: 1.050000
Total energy: -505.334788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.334788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.334788 (E_RNA)
where:
Base-Base interactions energy: -322.199
where: short stacking energy: -173.553
Base-Backbone interact. energy: -0.726
local terms energy: -182.409689
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -37.438
flat angles C4'-P-C4' energy: -42.129
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -46.499
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: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -486.557568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.557568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.557568 (E_RNA)
where:
Base-Base interactions energy: -325.640
where: short stacking energy: -146.297
Base-Backbone interact. energy: -0.602
local terms energy: -160.315546
where:
bonds (distance) C4'-P energy: -29.053
bonds (distance) P-C4' energy: -33.625
flat angles C4'-P-C4' energy: -33.797
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: -35.886
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: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -393.752055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.752055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.752055 (E_RNA)
where:
Base-Base interactions energy: -250.200
where: short stacking energy: -131.498
Base-Backbone interact. energy: 1.885
local terms energy: -145.437671
where:
bonds (distance) C4'-P energy: -26.081
bonds (distance) P-C4' energy: -28.962
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -31.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -307.180506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.180506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.180506 (E_RNA)
where:
Base-Base interactions energy: -191.867
where: short stacking energy: -87.350
Base-Backbone interact. energy: -0.628
local terms energy: -114.685432
where:
bonds (distance) C4'-P energy: -27.157
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -334.789860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.789860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.789860 (E_RNA)
where:
Base-Base interactions energy: -207.077
where: short stacking energy: -93.568
Base-Backbone interact. energy: -0.399
local terms energy: -127.313934
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -35.584
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -16.762
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: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -310.566028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.566028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.566028 (E_RNA)
where:
Base-Base interactions energy: -184.814
where: short stacking energy: -88.060
Base-Backbone interact. energy: 0.476
local terms energy: -126.227955
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -18.201
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: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -215.954451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.954451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.954451 (E_RNA)
where:
Base-Base interactions energy: -117.970
where: short stacking energy: -60.230
Base-Backbone interact. energy: 0.119
local terms energy: -98.103604
where:
bonds (distance) C4'-P energy: -30.489
bonds (distance) P-C4' energy: -32.669
flat angles C4'-P-C4' energy: -26.859
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -575.801006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.801006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.801006 (E_RNA)
where:
Base-Base interactions energy: -377.965
where: short stacking energy: -181.469
Base-Backbone interact. energy: -0.045
local terms energy: -197.791452
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -37.273
flat angles C4'-P-C4' energy: -42.703
flat angles P-C4'-P energy: -28.124
tors. eta vs tors. theta energy: -51.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -524.606300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.606300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.606300 (E_RNA)
where:
Base-Base interactions energy: -341.739
where: short stacking energy: -173.382
Base-Backbone interact. energy: -0.276
local terms energy: -182.590462
where:
bonds (distance) C4'-P energy: -37.032
bonds (distance) P-C4' energy: -35.268
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: -44.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -530.021969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.021969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.021969 (E_RNA)
where:
Base-Base interactions energy: -362.551
where: short stacking energy: -171.615
Base-Backbone interact. energy: -0.365
local terms energy: -167.105734
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -38.226
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -46.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -500.931009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.931009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.931009 (E_RNA)
where:
Base-Base interactions energy: -337.978
where: short stacking energy: -163.000
Base-Backbone interact. energy: 1.697
local terms energy: -164.650172
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -27.452
tors. eta vs tors. theta energy: -47.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -472.818433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.818433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.818433 (E_RNA)
where:
Base-Base interactions energy: -316.329
where: short stacking energy: -165.911
Base-Backbone interact. energy: -0.653
local terms energy: -155.836981
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -28.201
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -25.185
tors. eta vs tors. theta energy: -42.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -334.656845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.656845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.656845 (E_RNA)
where:
Base-Base interactions energy: -217.446
where: short stacking energy: -117.566
Base-Backbone interact. energy: -0.696
local terms energy: -116.515592
where:
bonds (distance) C4'-P energy: -21.336
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -372.882850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.882850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.882850 (E_RNA)
where:
Base-Base interactions energy: -235.125
where: short stacking energy: -112.292
Base-Backbone interact. energy: 2.903
local terms energy: -140.661289
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -27.096
flat angles P-C4'-P energy: -23.837
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: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -338.121889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.121889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.121889 (E_RNA)
where:
Base-Base interactions energy: -194.592
where: short stacking energy: -104.365
Base-Backbone interact. energy: -0.286
local terms energy: -143.243536
where:
bonds (distance) C4'-P energy: -34.773
bonds (distance) P-C4' energy: -36.009
flat angles C4'-P-C4' energy: -32.260
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -309.089484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.089484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.089484 (E_RNA)
where:
Base-Base interactions energy: -184.789
where: short stacking energy: -99.699
Base-Backbone interact. energy: -0.341
local terms energy: -123.958635
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -30.284
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -24.830
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: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -246.574750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.574750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.574750 (E_RNA)
where:
Base-Base interactions energy: -151.181
where: short stacking energy: -83.636
Base-Backbone interact. energy: -0.371
local terms energy: -95.022516
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -565.574287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.574287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.574287 (E_RNA)
where:
Base-Base interactions energy: -377.433
where: short stacking energy: -174.197
Base-Backbone interact. energy: -0.075
local terms energy: -188.066243
where:
bonds (distance) C4'-P energy: -36.302
bonds (distance) P-C4' energy: -36.393
flat angles C4'-P-C4' energy: -41.000
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -48.879
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: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -527.610043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.610043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.610043 (E_RNA)
where:
Base-Base interactions energy: -349.792
where: short stacking energy: -174.146
Base-Backbone interact. energy: -0.317
local terms energy: -177.501068
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -31.053
flat angles C4'-P-C4' energy: -42.639
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: -48.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -511.121262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.121262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.121262 (E_RNA)
where:
Base-Base interactions energy: -338.746
where: short stacking energy: -157.561
Base-Backbone interact. energy: -0.746
local terms energy: -171.629265
where:
bonds (distance) C4'-P energy: -31.355
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -38.680
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -501.573152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.573152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.573152 (E_RNA)
where:
Base-Base interactions energy: -333.584
where: short stacking energy: -149.634
Base-Backbone interact. energy: -0.359
local terms energy: -167.629753
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -36.350
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -27.676
tors. eta vs tors. theta energy: -36.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -488.012017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.012017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.012017 (E_RNA)
where:
Base-Base interactions energy: -322.932
where: short stacking energy: -173.173
Base-Backbone interact. energy: -0.240
local terms energy: -164.840206
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -39.222
flat angles C4'-P-C4' energy: -29.548
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -40.674
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: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -340.912956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.912956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.912956 (E_RNA)
where:
Base-Base interactions energy: -204.686
where: short stacking energy: -95.120
Base-Backbone interact. energy: 3.519
local terms energy: -139.745919
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -16.739
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: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -372.737823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.737823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.737823 (E_RNA)
where:
Base-Base interactions energy: -231.468
where: short stacking energy: -118.854
Base-Backbone interact. energy: -0.677
local terms energy: -140.592638
where:
bonds (distance) C4'-P energy: -33.323
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -33.502
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -22.965
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: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -354.057443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.057443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.057443 (E_RNA)
where:
Base-Base interactions energy: -219.140
where: short stacking energy: -88.893
Base-Backbone interact. energy: -0.559
local terms energy: -134.358759
where:
bonds (distance) C4'-P energy: -36.038
bonds (distance) P-C4' energy: -35.602
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -291.046183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.046183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.046183 (E_RNA)
where:
Base-Base interactions energy: -179.116
where: short stacking energy: -92.306
Base-Backbone interact. energy: 0.013
local terms energy: -111.942910
where:
bonds (distance) C4'-P energy: -28.738
bonds (distance) P-C4' energy: -28.242
flat angles C4'-P-C4' energy: -27.259
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -285.676269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.676269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.676269 (E_RNA)
where:
Base-Base interactions energy: -145.129
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.826
local terms energy: -139.721214
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -14.157
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: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -571.544188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.544188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.544188 (E_RNA)
where:
Base-Base interactions energy: -378.795
where: short stacking energy: -173.340
Base-Backbone interact. energy: -0.008
local terms energy: -192.740656
where:
bonds (distance) C4'-P energy: -37.536
bonds (distance) P-C4' energy: -40.613
flat angles C4'-P-C4' energy: -37.874
flat angles P-C4'-P energy: -27.923
tors. eta vs tors. theta energy: -48.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -536.299153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.299153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.299153 (E_RNA)
where:
Base-Base interactions energy: -359.532
where: short stacking energy: -166.256
Base-Backbone interact. energy: -1.109
local terms energy: -175.658521
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -30.163
tors. eta vs tors. theta energy: -42.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -525.905037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.905037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.905037 (E_RNA)
where:
Base-Base interactions energy: -354.948
where: short stacking energy: -167.844
Base-Backbone interact. energy: -0.181
local terms energy: -170.775121
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -29.481
flat angles C4'-P-C4' energy: -33.758
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -45.724
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: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -500.628371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.628371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.628371 (E_RNA)
where:
Base-Base interactions energy: -337.451
where: short stacking energy: -159.759
Base-Backbone interact. energy: 0.918
local terms energy: -164.095533
where:
bonds (distance) C4'-P energy: -34.890
bonds (distance) P-C4' energy: -32.526
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -40.554
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: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -497.449259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.449259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.449259 (E_RNA)
where:
Base-Base interactions energy: -324.487
where: short stacking energy: -161.364
Base-Backbone interact. energy: -0.356
local terms energy: -172.606099
where:
bonds (distance) C4'-P energy: -31.087
bonds (distance) P-C4' energy: -33.818
flat angles C4'-P-C4' energy: -40.978
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -48.349
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: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -375.760206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.760206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.760206 (E_RNA)
where:
Base-Base interactions energy: -228.928
where: short stacking energy: -119.961
Base-Backbone interact. energy: -0.146
local terms energy: -146.685684
where:
bonds (distance) C4'-P energy: -32.615
bonds (distance) P-C4' energy: -32.022
flat angles C4'-P-C4' energy: -34.372
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -23.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -324.558056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.558056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.558056 (E_RNA)
where:
Base-Base interactions energy: -213.849
where: short stacking energy: -100.929
Base-Backbone interact. energy: -0.691
local terms energy: -110.018737
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -29.588
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -10.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -340.409705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.409705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.409705 (E_RNA)
where:
Base-Base interactions energy: -202.875
where: short stacking energy: -85.754
Base-Backbone interact. energy: -0.566
local terms energy: -136.968621
where:
bonds (distance) C4'-P energy: -27.714
bonds (distance) P-C4' energy: -31.012
flat angles C4'-P-C4' energy: -34.544
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -287.740561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.740561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.740561 (E_RNA)
where:
Base-Base interactions energy: -175.018
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.539
local terms energy: -112.183292
where:
bonds (distance) C4'-P energy: -25.926
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -3.980
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: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -274.259930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.259930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.259930 (E_RNA)
where:
Base-Base interactions energy: -169.059
where: short stacking energy: -88.690
Base-Backbone interact. energy: -0.487
local terms energy: -104.713788
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -28.506
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -6.720
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: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -578.073873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.073873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.073873 (E_RNA)
where:
Base-Base interactions energy: -382.725
where: short stacking energy: -191.391
Base-Backbone interact. energy: 0.764
local terms energy: -196.112553
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -41.622
flat angles C4'-P-C4' energy: -40.035
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -56.753
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: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -530.620939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.620939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.620939 (E_RNA)
where:
Base-Base interactions energy: -347.761
where: short stacking energy: -162.753
Base-Backbone interact. energy: 1.085
local terms energy: -183.945397
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -38.753
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -43.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -533.814414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.814414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.814414 (E_RNA)
where:
Base-Base interactions energy: -375.983
where: short stacking energy: -173.930
Base-Backbone interact. energy: -0.445
local terms energy: -157.385781
where:
bonds (distance) C4'-P energy: -35.085
bonds (distance) P-C4' energy: -23.965
flat angles C4'-P-C4' energy: -33.800
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -47.268
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: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -503.034520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.034520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.034520 (E_RNA)
where:
Base-Base interactions energy: -330.615
where: short stacking energy: -171.592
Base-Backbone interact. energy: -0.058
local terms energy: -172.361971
where:
bonds (distance) C4'-P energy: -33.363
bonds (distance) P-C4' energy: -36.321
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -47.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -462.891593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.891593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.891593 (E_RNA)
where:
Base-Base interactions energy: -297.243
where: short stacking energy: -156.254
Base-Backbone interact. energy: -0.315
local terms energy: -165.333141
where:
bonds (distance) C4'-P energy: -30.884
bonds (distance) P-C4' energy: -36.349
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -40.526
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: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -450.813690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.813690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.813690 (E_RNA)
where:
Base-Base interactions energy: -295.255
where: short stacking energy: -128.827
Base-Backbone interact. energy: 1.361
local terms energy: -156.919522
where:
bonds (distance) C4'-P energy: -34.771
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -21.358
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: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -306.847386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.847386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.847386 (E_RNA)
where:
Base-Base interactions energy: -188.893
where: short stacking energy: -78.083
Base-Backbone interact. energy: -0.811
local terms energy: -117.143741
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -38.933
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -6.038
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: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -322.184736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.184736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.184736 (E_RNA)
where:
Base-Base interactions energy: -190.665
where: short stacking energy: -93.407
Base-Backbone interact. energy: -0.525
local terms energy: -130.995066
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -36.813
flat angles C4'-P-C4' energy: -34.391
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -19.175
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -320.213020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.213020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.213020 (E_RNA)
where:
Base-Base interactions energy: -203.786
where: short stacking energy: -96.384
Base-Backbone interact. energy: 0.184
local terms energy: -116.610612
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -15.300
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: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -257.265073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.265073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.265073 (E_RNA)
where:
Base-Base interactions energy: -155.496
where: short stacking energy: -61.473
Base-Backbone interact. energy: -0.624
local terms energy: -101.145371
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -6.518
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: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -564.932292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.932292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.932292 (E_RNA)
where:
Base-Base interactions energy: -375.998
where: short stacking energy: -181.675
Base-Backbone interact. energy: -0.457
local terms energy: -188.477225
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -34.176
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -53.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -532.026679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.026679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.026679 (E_RNA)
where:
Base-Base interactions energy: -363.029
where: short stacking energy: -160.672
Base-Backbone interact. energy: -0.427
local terms energy: -168.570752
where:
bonds (distance) C4'-P energy: -35.276
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -38.873
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -39.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -522.438655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.438655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.438655 (E_RNA)
where:
Base-Base interactions energy: -352.142
where: short stacking energy: -167.827
Base-Backbone interact. energy: 2.483
local terms energy: -172.779708
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -37.171
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -43.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -502.932709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.932709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.932709 (E_RNA)
where:
Base-Base interactions energy: -332.229
where: short stacking energy: -163.775
Base-Backbone interact. energy: 0.463
local terms energy: -171.166610
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -36.538
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: -39.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -446.189220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.189220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.189220 (E_RNA)
where:
Base-Base interactions energy: -284.162
where: short stacking energy: -152.336
Base-Backbone interact. energy: -0.216
local terms energy: -161.810941
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -41.503
flat angles P-C4'-P energy: -30.520
tors. eta vs tors. theta energy: -42.519
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: 277
Temperature: 1.150000
Total energy: -459.283396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.283396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.283396 (E_RNA)
where:
Base-Base interactions energy: -289.011
where: short stacking energy: -135.163
Base-Backbone interact. energy: -1.880
local terms energy: -168.392171
where:
bonds (distance) C4'-P energy: -35.076
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -25.718
tors. eta vs tors. theta energy: -37.309
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: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -332.414348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.414348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.414348 (E_RNA)
where:
Base-Base interactions energy: -208.005
where: short stacking energy: -99.094
Base-Backbone interact. energy: -0.439
local terms energy: -123.969877
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -27.228
flat angles C4'-P-C4' energy: -30.422
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -313.545391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.545391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.545391 (E_RNA)
where:
Base-Base interactions energy: -190.536
where: short stacking energy: -99.622
Base-Backbone interact. energy: 1.808
local terms energy: -124.816738
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -17.964
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: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -293.200333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.200333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.200333 (E_RNA)
where:
Base-Base interactions energy: -171.157
where: short stacking energy: -90.138
Base-Backbone interact. energy: -0.654
local terms energy: -121.389699
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -35.117
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -267.447709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.447709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.447709 (E_RNA)
where:
Base-Base interactions energy: -152.517
where: short stacking energy: -66.094
Base-Backbone interact. energy: 0.226
local terms energy: -115.156937
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -39.199
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -537.991342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.991342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.991342 (E_RNA)
where:
Base-Base interactions energy: -365.116
where: short stacking energy: -168.096
Base-Backbone interact. energy: -0.859
local terms energy: -172.016697
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -36.553
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: -44.734
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: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -556.456471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.456471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.456471 (E_RNA)
where:
Base-Base interactions energy: -383.079
where: short stacking energy: -169.023
Base-Backbone interact. energy: 1.371
local terms energy: -174.748743
where:
bonds (distance) C4'-P energy: -35.353
bonds (distance) P-C4' energy: -34.414
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -44.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -503.964956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.964956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.964956 (E_RNA)
where:
Base-Base interactions energy: -341.051
where: short stacking energy: -165.647
Base-Backbone interact. energy: -0.495
local terms energy: -162.419075
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -43.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -494.396808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.396808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.396808 (E_RNA)
where:
Base-Base interactions energy: -334.607
where: short stacking energy: -152.485
Base-Backbone interact. energy: 0.497
local terms energy: -160.286384
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -33.675
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -35.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -509.765243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.765243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.765243 (E_RNA)
where:
Base-Base interactions energy: -350.319
where: short stacking energy: -175.019
Base-Backbone interact. energy: -0.551
local terms energy: -158.895315
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -31.881
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -25.955
tors. eta vs tors. theta energy: -47.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -456.952874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.952874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.952874 (E_RNA)
where:
Base-Base interactions energy: -299.064
where: short stacking energy: -138.631
Base-Backbone interact. energy: 0.328
local terms energy: -158.215939
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -29.273
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -43.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -319.358812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.358812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.358812 (E_RNA)
where:
Base-Base interactions energy: -191.223
where: short stacking energy: -100.593
Base-Backbone interact. energy: 0.300
local terms energy: -128.435181
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -30.880
flat angles C4'-P-C4' energy: -31.232
flat angles P-C4'-P energy: -17.693
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: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -307.618131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.618131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.618131 (E_RNA)
where:
Base-Base interactions energy: -188.973
where: short stacking energy: -93.929
Base-Backbone interact. energy: -0.789
local terms energy: -117.856354
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -25.997
flat angles P-C4'-P energy: -17.163
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -314.500172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.500172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.500172 (E_RNA)
where:
Base-Base interactions energy: -199.807
where: short stacking energy: -101.135
Base-Backbone interact. energy: -0.946
local terms energy: -113.747002
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -22.137
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: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -279.187671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.187671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.187671 (E_RNA)
where:
Base-Base interactions energy: -175.706
where: short stacking energy: -76.994
Base-Backbone interact. energy: -0.647
local terms energy: -102.834047
where:
bonds (distance) C4'-P energy: -28.807
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -0.995
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: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -552.875479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.875479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.875479 (E_RNA)
where:
Base-Base interactions energy: -376.285
where: short stacking energy: -180.425
Base-Backbone interact. energy: -0.538
local terms energy: -176.052733
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -40.457
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -50.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -553.339396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.339396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.339396 (E_RNA)
where:
Base-Base interactions energy: -369.003
where: short stacking energy: -168.846
Base-Backbone interact. energy: -0.501
local terms energy: -183.836048
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -38.940
flat angles C4'-P-C4' energy: -35.631
flat angles P-C4'-P energy: -29.281
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: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -497.227472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.227472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.227472 (E_RNA)
where:
Base-Base interactions energy: -324.533
where: short stacking energy: -153.665
Base-Backbone interact. energy: -0.859
local terms energy: -171.836410
where:
bonds (distance) C4'-P energy: -27.828
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -41.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -513.576381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.576381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.576381 (E_RNA)
where:
Base-Base interactions energy: -341.562
where: short stacking energy: -155.210
Base-Backbone interact. energy: -1.421
local terms energy: -170.593526
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -35.090
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -42.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -484.881336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.881336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.881336 (E_RNA)
where:
Base-Base interactions energy: -319.279
where: short stacking energy: -147.541
Base-Backbone interact. energy: 0.009
local terms energy: -165.611273
where:
bonds (distance) C4'-P energy: -33.305
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -39.540
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: -36.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -458.814334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.814334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.814334 (E_RNA)
where:
Base-Base interactions energy: -292.360
where: short stacking energy: -147.871
Base-Backbone interact. energy: 0.146
local terms energy: -166.600935
where:
bonds (distance) C4'-P energy: -36.008
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -40.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -340.450282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.450282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.450282 (E_RNA)
where:
Base-Base interactions energy: -203.048
where: short stacking energy: -100.140
Base-Backbone interact. energy: -0.636
local terms energy: -136.766414
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -34.889
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -23.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -326.558219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.558219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.558219 (E_RNA)
where:
Base-Base interactions energy: -199.227
where: short stacking energy: -102.232
Base-Backbone interact. energy: -0.570
local terms energy: -126.760643
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -304.870046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.870046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.870046 (E_RNA)
where:
Base-Base interactions energy: -191.947
where: short stacking energy: -102.873
Base-Backbone interact. energy: -0.319
local terms energy: -112.604492
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -290.668292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.668292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.668292 (E_RNA)
where:
Base-Base interactions energy: -152.686
where: short stacking energy: -80.428
Base-Backbone interact. energy: -0.692
local terms energy: -137.290391
where:
bonds (distance) C4'-P energy: -28.844
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -549.097627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.097627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.097627 (E_RNA)
where:
Base-Base interactions energy: -365.782
where: short stacking energy: -185.380
Base-Backbone interact. energy: -0.323
local terms energy: -182.992333
where:
bonds (distance) C4'-P energy: -27.672
bonds (distance) P-C4' energy: -37.252
flat angles C4'-P-C4' energy: -38.887
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -53.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -557.976438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.976438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.976438 (E_RNA)
where:
Base-Base interactions energy: -383.612
where: short stacking energy: -174.529
Base-Backbone interact. energy: -0.349
local terms energy: -174.015180
where:
bonds (distance) C4'-P energy: -31.897
bonds (distance) P-C4' energy: -36.677
flat angles C4'-P-C4' energy: -32.662
flat angles P-C4'-P energy: -25.999
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: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -502.264222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.264222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.264222 (E_RNA)
where:
Base-Base interactions energy: -328.019
where: short stacking energy: -153.088
Base-Backbone interact. energy: -0.175
local terms energy: -174.070796
where:
bonds (distance) C4'-P energy: -29.828
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -26.642
tors. eta vs tors. theta energy: -39.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -480.655832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.655832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.655832 (E_RNA)
where:
Base-Base interactions energy: -324.017
where: short stacking energy: -141.747
Base-Backbone interact. energy: 1.210
local terms energy: -157.848924
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -21.468
tors. eta vs tors. theta energy: -33.273
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: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -478.404604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.404604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.404604 (E_RNA)
where:
Base-Base interactions energy: -304.295
where: short stacking energy: -143.229
Base-Backbone interact. energy: -0.145
local terms energy: -173.965249
where:
bonds (distance) C4'-P energy: -35.705
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -31.456
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -44.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -424.935781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.935781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.935781 (E_RNA)
where:
Base-Base interactions energy: -282.216
where: short stacking energy: -139.819
Base-Backbone interact. energy: 0.542
local terms energy: -143.261775
where:
bonds (distance) C4'-P energy: -33.265
bonds (distance) P-C4' energy: -24.764
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -31.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -332.861246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.861246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.861246 (E_RNA)
where:
Base-Base interactions energy: -188.758
where: short stacking energy: -78.294
Base-Backbone interact. energy: -0.637
local terms energy: -143.466386
where:
bonds (distance) C4'-P energy: -36.962
bonds (distance) P-C4' energy: -27.580
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -27.521
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -318.454171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.454171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.454171 (E_RNA)
where:
Base-Base interactions energy: -197.040
where: short stacking energy: -93.975
Base-Backbone interact. energy: 0.185
local terms energy: -121.599680
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -315.512197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.512197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.512197 (E_RNA)
where:
Base-Base interactions energy: -192.046
where: short stacking energy: -95.962
Base-Backbone interact. energy: -0.922
local terms energy: -122.543222
where:
bonds (distance) C4'-P energy: -26.132
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -27.239
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -21.498
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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -273.739625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.739625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.739625 (E_RNA)
where:
Base-Base interactions energy: -161.221
where: short stacking energy: -75.208
Base-Backbone interact. energy: -0.457
local terms energy: -112.061582
where:
bonds (distance) C4'-P energy: -34.560
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -5.309
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: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -556.845981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.845981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.845981 (E_RNA)
where:
Base-Base interactions energy: -366.387
where: short stacking energy: -183.631
Base-Backbone interact. energy: -0.191
local terms energy: -190.267602
where:
bonds (distance) C4'-P energy: -34.245
bonds (distance) P-C4' energy: -38.181
flat angles C4'-P-C4' energy: -37.605
flat angles P-C4'-P energy: -27.565
tors. eta vs tors. theta energy: -52.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -554.701795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.701795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.701795 (E_RNA)
where:
Base-Base interactions energy: -371.306
where: short stacking energy: -175.813
Base-Backbone interact. energy: -0.158
local terms energy: -183.237454
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -37.331
flat angles C4'-P-C4' energy: -37.617
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: -47.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -506.677954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.677954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.677954 (E_RNA)
where:
Base-Base interactions energy: -330.810
where: short stacking energy: -160.674
Base-Backbone interact. energy: -0.149
local terms energy: -175.718496
where:
bonds (distance) C4'-P energy: -33.581
bonds (distance) P-C4' energy: -34.749
flat angles C4'-P-C4' energy: -32.855
flat angles P-C4'-P energy: -26.440
tors. eta vs tors. theta energy: -48.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -511.820205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.820205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.820205 (E_RNA)
where:
Base-Base interactions energy: -344.362
where: short stacking energy: -168.104
Base-Backbone interact. energy: -0.449
local terms energy: -167.009587
where:
bonds (distance) C4'-P energy: -32.122
bonds (distance) P-C4' energy: -27.689
flat angles C4'-P-C4' energy: -35.282
flat angles P-C4'-P energy: -27.423
tors. eta vs tors. theta energy: -44.494
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -467.175916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.175916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.175916 (E_RNA)
where:
Base-Base interactions energy: -298.351
where: short stacking energy: -130.440
Base-Backbone interact. energy: -1.387
local terms energy: -167.438038
where:
bonds (distance) C4'-P energy: -31.347
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -39.936
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -32.238
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: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -390.503311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.503311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.503311 (E_RNA)
where:
Base-Base interactions energy: -229.637
where: short stacking energy: -119.587
Base-Backbone interact. energy: -0.716
local terms energy: -160.150897
where:
bonds (distance) C4'-P energy: -30.709
bonds (distance) P-C4' energy: -39.189
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -310.991903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.991903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.991903 (E_RNA)
where:
Base-Base interactions energy: -182.204
where: short stacking energy: -89.965
Base-Backbone interact. energy: -0.667
local terms energy: -128.121064
where:
bonds (distance) C4'-P energy: -29.075
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -10.522
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: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -319.895374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.895374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.895374 (E_RNA)
where:
Base-Base interactions energy: -196.481
where: short stacking energy: -88.007
Base-Backbone interact. energy: -0.782
local terms energy: -122.632690
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -29.764
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -11.365
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -284.435014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.435014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.435014 (E_RNA)
where:
Base-Base interactions energy: -163.570
where: short stacking energy: -79.354
Base-Backbone interact. energy: 0.498
local terms energy: -121.363408
where:
bonds (distance) C4'-P energy: -30.729
bonds (distance) P-C4' energy: -31.497
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: -12.541
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: 10, replica: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -285.462699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.462699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.462699 (E_RNA)
where:
Base-Base interactions energy: -173.771
where: short stacking energy: -71.175
Base-Backbone interact. energy: 3.372
local terms energy: -115.063982
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -9.043
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -560.059839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.059839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.059839 (E_RNA)
where:
Base-Base interactions energy: -373.264
where: short stacking energy: -172.374
Base-Backbone interact. energy: -0.716
local terms energy: -186.079543
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -37.143
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -53.959
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: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -550.721650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.721650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.721650 (E_RNA)
where:
Base-Base interactions energy: -368.285
where: short stacking energy: -180.010
Base-Backbone interact. energy: 0.465
local terms energy: -182.901730
where:
bonds (distance) C4'-P energy: -31.273
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -32.676
flat angles P-C4'-P energy: -31.055
tors. eta vs tors. theta energy: -52.199
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: 282
Temperature: 1.000000
Total energy: -534.368622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.368622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.368622 (E_RNA)
where:
Base-Base interactions energy: -361.704
where: short stacking energy: -167.268
Base-Backbone interact. energy: -1.252
local terms energy: -171.412372
where:
bonds (distance) C4'-P energy: -32.717
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -42.228
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -42.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -492.363714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.363714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.363714 (E_RNA)
where:
Base-Base interactions energy: -326.398
where: short stacking energy: -162.084
Base-Backbone interact. energy: -0.367
local terms energy: -165.598637
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -27.905
flat angles C4'-P-C4' energy: -38.288
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -44.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -473.457886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.457886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.457886 (E_RNA)
where:
Base-Base interactions energy: -318.572
where: short stacking energy: -143.327
Base-Backbone interact. energy: -0.470
local terms energy: -154.415520
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -37.099
flat angles C4'-P-C4' energy: -34.997
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -35.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -413.629687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.629687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.629687 (E_RNA)
where:
Base-Base interactions energy: -254.807
where: short stacking energy: -130.024
Base-Backbone interact. energy: -0.173
local terms energy: -158.650449
where:
bonds (distance) C4'-P energy: -33.876
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -38.268
flat angles P-C4'-P energy: -23.685
tors. eta vs tors. theta energy: -30.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -347.288557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.288557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.288557 (E_RNA)
where:
Base-Base interactions energy: -214.456
where: short stacking energy: -104.404
Base-Backbone interact. energy: -0.668
local terms energy: -132.165049
where:
bonds (distance) C4'-P energy: -30.689
bonds (distance) P-C4' energy: -32.167
flat angles C4'-P-C4' energy: -37.069
flat angles P-C4'-P energy: -11.084
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: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -328.553555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.553555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.553555 (E_RNA)
where:
Base-Base interactions energy: -198.194
where: short stacking energy: -100.131
Base-Backbone interact. energy: -0.598
local terms energy: -129.761788
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -23.664
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: 282
Temperature: 1.300000
Total energy: -291.684438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.684438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.684438 (E_RNA)
where:
Base-Base interactions energy: -168.746
where: short stacking energy: -95.313
Base-Backbone interact. energy: 0.066
local terms energy: -123.004371
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -36.543
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -6.511
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: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -282.919633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.919633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.919633 (E_RNA)
where:
Base-Base interactions energy: -159.349
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.142
local terms energy: -123.428613
where:
bonds (distance) C4'-P energy: -28.761
bonds (distance) P-C4' energy: -27.337
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -550.141027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.141027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.141027 (E_RNA)
where:
Base-Base interactions energy: -372.561
where: short stacking energy: -172.207
Base-Backbone interact. energy: 0.556
local terms energy: -178.135424
where:
bonds (distance) C4'-P energy: -34.386
bonds (distance) P-C4' energy: -34.970
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -45.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -558.500603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.500603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.500603 (E_RNA)
where:
Base-Base interactions energy: -372.822
where: short stacking energy: -180.103
Base-Backbone interact. energy: 2.632
local terms energy: -188.310688
where:
bonds (distance) C4'-P energy: -35.015
bonds (distance) P-C4' energy: -38.500
flat angles C4'-P-C4' energy: -38.443
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -45.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -516.541839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.541839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.541839 (E_RNA)
where:
Base-Base interactions energy: -341.557
where: short stacking energy: -165.334
Base-Backbone interact. energy: -0.798
local terms energy: -174.186311
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -34.015
flat angles C4'-P-C4' energy: -40.501
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -44.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -496.838493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.838493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.838493 (E_RNA)
where:
Base-Base interactions energy: -332.405
where: short stacking energy: -157.294
Base-Backbone interact. energy: -0.654
local terms energy: -163.778858
where:
bonds (distance) C4'-P energy: -29.144
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -37.109
flat angles P-C4'-P energy: -28.697
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: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -474.673333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.673333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.673333 (E_RNA)
where:
Base-Base interactions energy: -313.979
where: short stacking energy: -154.749
Base-Backbone interact. energy: -0.109
local terms energy: -160.585399
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -34.013
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -37.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -373.794928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.794928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.794928 (E_RNA)
where:
Base-Base interactions energy: -230.865
where: short stacking energy: -112.724
Base-Backbone interact. energy: -0.282
local terms energy: -142.647825
where:
bonds (distance) C4'-P energy: -32.286
bonds (distance) P-C4' energy: -31.675
flat angles C4'-P-C4' energy: -33.269
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -350.117292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.117292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.117292 (E_RNA)
where:
Base-Base interactions energy: -228.810
where: short stacking energy: -102.013
Base-Backbone interact. energy: 2.787
local terms energy: -124.094152
where:
bonds (distance) C4'-P energy: -27.849
bonds (distance) P-C4' energy: -31.200
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -310.543197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.543197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.543197 (E_RNA)
where:
Base-Base interactions energy: -202.398
where: short stacking energy: -78.502
Base-Backbone interact. energy: 0.167
local terms energy: -108.311881
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -30.044
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -303.596795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.596795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.596795 (E_RNA)
where:
Base-Base interactions energy: -169.878
where: short stacking energy: -87.256
Base-Backbone interact. energy: -0.467
local terms energy: -133.251309
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -34.293
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -270.156008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.156008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.156008 (E_RNA)
where:
Base-Base interactions energy: -159.854
where: short stacking energy: -77.186
Base-Backbone interact. energy: -0.334
local terms energy: -109.967908
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -32.033
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -9.426
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: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -552.369619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.369619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.369619 (E_RNA)
where:
Base-Base interactions energy: -373.106
where: short stacking energy: -187.462
Base-Backbone interact. energy: -0.143
local terms energy: -179.120169
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -38.736
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -49.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -561.832923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.832923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.832923 (E_RNA)
where:
Base-Base interactions energy: -379.510
where: short stacking energy: -170.978
Base-Backbone interact. energy: -0.375
local terms energy: -181.948273
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -31.162
flat angles C4'-P-C4' energy: -38.657
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -49.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -498.696642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.696642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.696642 (E_RNA)
where:
Base-Base interactions energy: -335.840
where: short stacking energy: -159.208
Base-Backbone interact. energy: -0.314
local terms energy: -162.543128
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: -44.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -463.303382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.303382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.303382 (E_RNA)
where:
Base-Base interactions energy: -304.383
where: short stacking energy: -127.121
Base-Backbone interact. energy: -0.884
local terms energy: -158.035824
where:
bonds (distance) C4'-P energy: -36.016
bonds (distance) P-C4' energy: -34.547
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -25.935
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: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -474.052245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.052245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.052245 (E_RNA)
where:
Base-Base interactions energy: -310.907
where: short stacking energy: -144.683
Base-Backbone interact. energy: -0.709
local terms energy: -162.436326
where:
bonds (distance) C4'-P energy: -36.982
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -39.622
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -40.823
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: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -400.130411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.130411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.130411 (E_RNA)
where:
Base-Base interactions energy: -254.671
where: short stacking energy: -124.736
Base-Backbone interact. energy: -0.029
local terms energy: -145.430359
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -17.706
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: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -324.711060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.711060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.711060 (E_RNA)
where:
Base-Base interactions energy: -197.162
where: short stacking energy: -85.143
Base-Backbone interact. energy: -0.172
local terms energy: -127.377200
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -35.604
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -23.212
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: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -328.203601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.203601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.203601 (E_RNA)
where:
Base-Base interactions energy: -201.080
where: short stacking energy: -111.233
Base-Backbone interact. energy: -0.185
local terms energy: -126.938040
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -28.339
flat angles C4'-P-C4' energy: -30.074
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -282.357147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.357147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.357147 (E_RNA)
where:
Base-Base interactions energy: -166.733
where: short stacking energy: -85.025
Base-Backbone interact. energy: -1.227
local terms energy: -114.396549
where:
bonds (distance) C4'-P energy: -31.426
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -287.157812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.157812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.157812 (E_RNA)
where:
Base-Base interactions energy: -170.504
where: short stacking energy: -81.327
Base-Backbone interact. energy: -0.345
local terms energy: -116.308819
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -34.989
flat angles C4'-P-C4' energy: -27.957
flat angles P-C4'-P energy: -10.513
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: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -539.647547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.647547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.647547 (E_RNA)
where:
Base-Base interactions energy: -356.448
where: short stacking energy: -180.658
Base-Backbone interact. energy: -0.288
local terms energy: -182.911599
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -31.798
flat angles C4'-P-C4' energy: -38.726
flat angles P-C4'-P energy: -30.786
tors. eta vs tors. theta energy: -47.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -552.515297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.515297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.515297 (E_RNA)
where:
Base-Base interactions energy: -375.264
where: short stacking energy: -165.468
Base-Backbone interact. energy: -0.377
local terms energy: -176.874240
where:
bonds (distance) C4'-P energy: -30.738
bonds (distance) P-C4' energy: -37.734
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -27.612
tors. eta vs tors. theta energy: -47.115
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: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -500.315795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.315795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.315795 (E_RNA)
where:
Base-Base interactions energy: -320.511
where: short stacking energy: -157.190
Base-Backbone interact. energy: 0.442
local terms energy: -180.247350
where:
bonds (distance) C4'-P energy: -34.282
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -38.445
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: -45.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -507.738522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.738522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.738522 (E_RNA)
where:
Base-Base interactions energy: -334.141
where: short stacking energy: -161.633
Base-Backbone interact. energy: -0.789
local terms energy: -172.809094
where:
bonds (distance) C4'-P energy: -34.461
bonds (distance) P-C4' energy: -32.584
flat angles C4'-P-C4' energy: -38.436
flat angles P-C4'-P energy: -26.857
tors. eta vs tors. theta energy: -40.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -469.073122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.073122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.073122 (E_RNA)
where:
Base-Base interactions energy: -315.177
where: short stacking energy: -151.931
Base-Backbone interact. energy: -0.299
local terms energy: -153.597423
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -28.423
flat angles P-C4'-P energy: -19.993
tors. eta vs tors. theta energy: -45.798
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: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -402.971933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.971933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.971933 (E_RNA)
where:
Base-Base interactions energy: -260.651
where: short stacking energy: -123.751
Base-Backbone interact. energy: -0.244
local terms energy: -142.076446
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -31.033
flat angles C4'-P-C4' energy: -28.909
flat angles P-C4'-P energy: -24.199
tors. eta vs tors. theta energy: -29.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -349.187118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.187118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.187118 (E_RNA)
where:
Base-Base interactions energy: -202.791
where: short stacking energy: -104.559
Base-Backbone interact. energy: -0.150
local terms energy: -146.245749
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -36.085
flat angles C4'-P-C4' energy: -35.280
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -319.952041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.952041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.952041 (E_RNA)
where:
Base-Base interactions energy: -178.098
where: short stacking energy: -94.734
Base-Backbone interact. energy: -0.562
local terms energy: -141.292219
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -35.833
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -26.486
tors. eta vs tors. theta energy: -16.604
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: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -278.129736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.129736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.129736 (E_RNA)
where:
Base-Base interactions energy: -158.173
where: short stacking energy: -75.906
Base-Backbone interact. energy: -1.143
local terms energy: -118.813945
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -266.960939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.960939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.960939 (E_RNA)
where:
Base-Base interactions energy: -171.726
where: short stacking energy: -92.936
Base-Backbone interact. energy: 0.511
local terms energy: -95.745555
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -24.020
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -13.520
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -571.351015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.351015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.351015 (E_RNA)
where:
Base-Base interactions energy: -381.524
where: short stacking energy: -188.829
Base-Backbone interact. energy: -0.097
local terms energy: -189.729522
where:
bonds (distance) C4'-P energy: -35.276
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -38.561
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -51.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -534.620179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.620179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.620179 (E_RNA)
where:
Base-Base interactions energy: -360.725
where: short stacking energy: -171.076
Base-Backbone interact. energy: -0.040
local terms energy: -173.855791
where:
bonds (distance) C4'-P energy: -38.765
bonds (distance) P-C4' energy: -28.019
flat angles C4'-P-C4' energy: -34.902
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -47.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -530.662088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.662088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.662088 (E_RNA)
where:
Base-Base interactions energy: -355.647
where: short stacking energy: -170.731
Base-Backbone interact. energy: -0.484
local terms energy: -174.531535
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -34.024
flat angles C4'-P-C4' energy: -37.903
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -46.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -489.727958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.727958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.727958 (E_RNA)
where:
Base-Base interactions energy: -339.920
where: short stacking energy: -148.511
Base-Backbone interact. energy: 2.188
local terms energy: -151.995732
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -33.614
flat angles P-C4'-P energy: -24.360
tors. eta vs tors. theta energy: -35.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -476.968028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.968028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.968028 (E_RNA)
where:
Base-Base interactions energy: -323.244
where: short stacking energy: -147.516
Base-Backbone interact. energy: -0.690
local terms energy: -153.033549
where:
bonds (distance) C4'-P energy: -28.404
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -41.867
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: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -404.479318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.479318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.479318 (E_RNA)
where:
Base-Base interactions energy: -258.076
where: short stacking energy: -136.826
Base-Backbone interact. energy: -0.353
local terms energy: -146.050631
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -40.256
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -348.766169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.766169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.766169 (E_RNA)
where:
Base-Base interactions energy: -206.711
where: short stacking energy: -104.715
Base-Backbone interact. energy: -1.362
local terms energy: -140.693424
where:
bonds (distance) C4'-P energy: -35.503
bonds (distance) P-C4' energy: -34.456
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -23.998
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: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -299.555192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.555192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.555192 (E_RNA)
where:
Base-Base interactions energy: -174.605
where: short stacking energy: -91.270
Base-Backbone interact. energy: -0.875
local terms energy: -124.075208
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -32.611
flat angles P-C4'-P energy: -22.352
tors. eta vs tors. theta energy: -9.278
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: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -287.315354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.315354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.315354 (E_RNA)
where:
Base-Base interactions energy: -168.372
where: short stacking energy: -91.625
Base-Backbone interact. energy: -0.095
local terms energy: -118.847930
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -29.935
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -237.283498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.283498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.283498 (E_RNA)
where:
Base-Base interactions energy: -116.314
where: short stacking energy: -64.380
Base-Backbone interact. energy: -0.789
local terms energy: -120.180089
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -26.447
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -8.847
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: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -576.774162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.774162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.774162 (E_RNA)
where:
Base-Base interactions energy: -377.126
where: short stacking energy: -181.096
Base-Backbone interact. energy: -0.345
local terms energy: -199.302677
where:
bonds (distance) C4'-P energy: -36.672
bonds (distance) P-C4' energy: -35.432
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -29.920
tors. eta vs tors. theta energy: -53.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -521.626673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.626673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.626673 (E_RNA)
where:
Base-Base interactions energy: -349.380
where: short stacking energy: -165.253
Base-Backbone interact. energy: 0.812
local terms energy: -173.058730
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -36.793
flat angles C4'-P-C4' energy: -37.443
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -42.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -520.891065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.891065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.891065 (E_RNA)
where:
Base-Base interactions energy: -352.450
where: short stacking energy: -176.211
Base-Backbone interact. energy: 0.021
local terms energy: -168.461951
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -496.437133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.437133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.437133 (E_RNA)
where:
Base-Base interactions energy: -312.049
where: short stacking energy: -168.570
Base-Backbone interact. energy: -0.044
local terms energy: -184.344171
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -34.201
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -50.234
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: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -479.348678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.348678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.348678 (E_RNA)
where:
Base-Base interactions energy: -335.725
where: short stacking energy: -143.292
Base-Backbone interact. energy: -0.807
local terms energy: -142.816696
where:
bonds (distance) C4'-P energy: -31.051
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -30.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -410.281544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.281544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.281544 (E_RNA)
where:
Base-Base interactions energy: -270.204
where: short stacking energy: -131.670
Base-Backbone interact. energy: -0.104
local terms energy: -139.972604
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -33.144
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -32.959
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: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -337.600034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.600034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.600034 (E_RNA)
where:
Base-Base interactions energy: -201.023
where: short stacking energy: -106.012
Base-Backbone interact. energy: 1.424
local terms energy: -138.000925
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -14.723
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: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -302.894187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.894187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.894187 (E_RNA)
where:
Base-Base interactions energy: -164.983
where: short stacking energy: -85.061
Base-Backbone interact. energy: 0.238
local terms energy: -138.148734
where:
bonds (distance) C4'-P energy: -37.019
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -291.991695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.991695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.991695 (E_RNA)
where:
Base-Base interactions energy: -177.625
where: short stacking energy: -84.729
Base-Backbone interact. energy: -0.600
local terms energy: -113.766592
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -26.996
flat angles P-C4'-P energy: -20.140
tors. eta vs tors. theta energy: -9.067
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: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -238.160251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.160251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.160251 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -83.701
Base-Backbone interact. energy: -0.387
local terms energy: -94.763259
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -29.028
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -569.713375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.713375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.713375 (E_RNA)
where:
Base-Base interactions energy: -391.181
where: short stacking energy: -182.857
Base-Backbone interact. energy: -2.000
local terms energy: -176.532970
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -37.871
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -50.909
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: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -535.878988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.878988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.878988 (E_RNA)
where:
Base-Base interactions energy: -360.050
where: short stacking energy: -173.386
Base-Backbone interact. energy: -1.756
local terms energy: -174.073426
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -34.772
flat angles C4'-P-C4' energy: -38.350
flat angles P-C4'-P energy: -25.133
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: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -496.483160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.483160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.483160 (E_RNA)
where:
Base-Base interactions energy: -329.409
where: short stacking energy: -158.050
Base-Backbone interact. energy: -0.168
local terms energy: -166.906100
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -32.440
tors. eta vs tors. theta energy: -40.854
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: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -489.027760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.027760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.027760 (E_RNA)
where:
Base-Base interactions energy: -330.413
where: short stacking energy: -155.515
Base-Backbone interact. energy: -0.763
local terms energy: -157.852011
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -42.755
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: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -483.004619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.004619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.004619 (E_RNA)
where:
Base-Base interactions energy: -314.460
where: short stacking energy: -144.054
Base-Backbone interact. energy: 0.093
local terms energy: -168.637654
where:
bonds (distance) C4'-P energy: -28.291
bonds (distance) P-C4' energy: -35.133
flat angles C4'-P-C4' energy: -36.654
flat angles P-C4'-P energy: -23.534
tors. eta vs tors. theta energy: -45.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -419.695444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.695444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.695444 (E_RNA)
where:
Base-Base interactions energy: -271.998
where: short stacking energy: -142.910
Base-Backbone interact. energy: -0.193
local terms energy: -147.504337
where:
bonds (distance) C4'-P energy: -29.134
bonds (distance) P-C4' energy: -27.907
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -39.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -346.856914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.856914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.856914 (E_RNA)
where:
Base-Base interactions energy: -210.302
where: short stacking energy: -100.401
Base-Backbone interact. energy: -0.534
local terms energy: -136.020628
where:
bonds (distance) C4'-P energy: -29.992
bonds (distance) P-C4' energy: -30.826
flat angles C4'-P-C4' energy: -31.299
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -335.854974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.854974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.854974 (E_RNA)
where:
Base-Base interactions energy: -205.952
where: short stacking energy: -100.754
Base-Backbone interact. energy: -0.313
local terms energy: -129.590259
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -29.542
flat angles C4'-P-C4' energy: -26.591
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -286.288043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.288043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.288043 (E_RNA)
where:
Base-Base interactions energy: -181.607
where: short stacking energy: -88.595
Base-Backbone interact. energy: 0.899
local terms energy: -105.580628
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -27.669
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -12.656
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: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -234.637877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.637877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.637877 (E_RNA)
where:
Base-Base interactions energy: -122.649
where: short stacking energy: -76.983
Base-Backbone interact. energy: -1.024
local terms energy: -110.964878
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -33.460
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -16.733
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: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -574.024457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.024457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.024457 (E_RNA)
where:
Base-Base interactions energy: -389.682
where: short stacking energy: -186.052
Base-Backbone interact. energy: -0.312
local terms energy: -184.030297
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -30.644
tors. eta vs tors. theta energy: -47.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -539.054765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.054765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.054765 (E_RNA)
where:
Base-Base interactions energy: -360.142
where: short stacking energy: -169.857
Base-Backbone interact. energy: -0.828
local terms energy: -178.085088
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -29.722
flat angles C4'-P-C4' energy: -41.528
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -45.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -522.026238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.026238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.026238 (E_RNA)
where:
Base-Base interactions energy: -350.321
where: short stacking energy: -179.984
Base-Backbone interact. energy: -0.036
local terms energy: -171.669207
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -33.613
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -500.133607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.133607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.133607 (E_RNA)
where:
Base-Base interactions energy: -329.111
where: short stacking energy: -148.969
Base-Backbone interact. energy: -0.683
local terms energy: -170.339428
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -37.586
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -43.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -460.122469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.122469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.122469 (E_RNA)
where:
Base-Base interactions energy: -315.233
where: short stacking energy: -147.588
Base-Backbone interact. energy: -0.167
local terms energy: -144.722645
where:
bonds (distance) C4'-P energy: -37.377
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -34.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -420.040021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.040021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.040021 (E_RNA)
where:
Base-Base interactions energy: -273.121
where: short stacking energy: -129.170
Base-Backbone interact. energy: -0.421
local terms energy: -146.498409
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -34.950
flat angles C4'-P-C4' energy: -29.068
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -35.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -347.896021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.896021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.896021 (E_RNA)
where:
Base-Base interactions energy: -225.022
where: short stacking energy: -100.254
Base-Backbone interact. energy: 3.414
local terms energy: -126.288479
where:
bonds (distance) C4'-P energy: -32.369
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -21.510
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -301.680413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.680413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.680413 (E_RNA)
where:
Base-Base interactions energy: -172.984
where: short stacking energy: -83.088
Base-Backbone interact. energy: 0.349
local terms energy: -129.044869
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -35.629
flat angles C4'-P-C4' energy: -28.557
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -13.909
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: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -286.415883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.415883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.415883 (E_RNA)
where:
Base-Base interactions energy: -170.898
where: short stacking energy: -88.528
Base-Backbone interact. energy: -0.678
local terms energy: -114.840010
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -33.599
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -8.216
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: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -219.677562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.677562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.677562 (E_RNA)
where:
Base-Base interactions energy: -124.101
where: short stacking energy: -76.681
Base-Backbone interact. energy: -0.264
local terms energy: -95.312021
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -6.711
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: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -589.235542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.235542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.235542 (E_RNA)
where:
Base-Base interactions energy: -396.259
where: short stacking energy: -190.623
Base-Backbone interact. energy: 0.154
local terms energy: -193.130183
where:
bonds (distance) C4'-P energy: -35.693
bonds (distance) P-C4' energy: -37.062
flat angles C4'-P-C4' energy: -40.148
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -55.632
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: 290
Temperature: 0.950000
Total energy: -525.972472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.972472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.972472 (E_RNA)
where:
Base-Base interactions energy: -340.688
where: short stacking energy: -160.165
Base-Backbone interact. energy: -1.768
local terms energy: -183.516233
where:
bonds (distance) C4'-P energy: -38.729
bonds (distance) P-C4' energy: -38.011
flat angles C4'-P-C4' energy: -36.285
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: -44.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -522.783511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.783511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.783511 (E_RNA)
where:
Base-Base interactions energy: -350.709
where: short stacking energy: -167.630
Base-Backbone interact. energy: 1.673
local terms energy: -173.748417
where:
bonds (distance) C4'-P energy: -34.887
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -40.895
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -44.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -501.117231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.117231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.117231 (E_RNA)
where:
Base-Base interactions energy: -330.842
where: short stacking energy: -172.085
Base-Backbone interact. energy: 0.565
local terms energy: -170.840383
where:
bonds (distance) C4'-P energy: -31.465
bonds (distance) P-C4' energy: -27.138
flat angles C4'-P-C4' energy: -39.327
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -48.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -483.513356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.513356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.513356 (E_RNA)
where:
Base-Base interactions energy: -316.032
where: short stacking energy: -150.486
Base-Backbone interact. energy: -0.393
local terms energy: -167.088866
where:
bonds (distance) C4'-P energy: -34.633
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -27.886
tors. eta vs tors. theta energy: -34.942
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: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -428.355634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.355634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.355634 (E_RNA)
where:
Base-Base interactions energy: -275.194
where: short stacking energy: -142.406
Base-Backbone interact. energy: -0.096
local terms energy: -153.066380
where:
bonds (distance) C4'-P energy: -25.601
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -32.636
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: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -345.991757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.991757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.991757 (E_RNA)
where:
Base-Base interactions energy: -210.877
where: short stacking energy: -96.575
Base-Backbone interact. energy: -0.658
local terms energy: -134.456962
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -17.232
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: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -316.649245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.649245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.649245 (E_RNA)
where:
Base-Base interactions energy: -183.541
where: short stacking energy: -90.772
Base-Backbone interact. energy: -0.741
local terms energy: -132.366777
where:
bonds (distance) C4'-P energy: -35.060
bonds (distance) P-C4' energy: -29.365
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -294.200471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.200471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.200471 (E_RNA)
where:
Base-Base interactions energy: -181.689
where: short stacking energy: -78.625
Base-Backbone interact. energy: 3.472
local terms energy: -115.983585
where:
bonds (distance) C4'-P energy: -29.960
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -23.020
tors. eta vs tors. theta energy: -4.987
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: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -210.398293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.398293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.398293 (E_RNA)
where:
Base-Base interactions energy: -98.630
where: short stacking energy: -61.731
Base-Backbone interact. energy: -0.302
local terms energy: -111.466314
where:
bonds (distance) C4'-P energy: -30.449
bonds (distance) P-C4' energy: -25.143
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -8.263
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: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -581.399539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.399539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.399539 (E_RNA)
where:
Base-Base interactions energy: -393.483
where: short stacking energy: -178.318
Base-Backbone interact. energy: -0.937
local terms energy: -186.979485
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -39.841
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -28.748
tors. eta vs tors. theta energy: -48.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -537.274966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.274966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.274966 (E_RNA)
where:
Base-Base interactions energy: -356.439
where: short stacking energy: -172.628
Base-Backbone interact. energy: -2.438
local terms energy: -178.397653
where:
bonds (distance) C4'-P energy: -34.255
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -27.454
tors. eta vs tors. theta energy: -48.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -506.699279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.699279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.699279 (E_RNA)
where:
Base-Base interactions energy: -340.244
where: short stacking energy: -163.102
Base-Backbone interact. energy: -0.310
local terms energy: -166.145816
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -32.713
flat angles C4'-P-C4' energy: -39.133
flat angles P-C4'-P energy: -25.834
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: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -470.092371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.092371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.092371 (E_RNA)
where:
Base-Base interactions energy: -308.026
where: short stacking energy: -149.492
Base-Backbone interact. energy: -0.169
local terms energy: -161.897447
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -23.893
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: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -492.577091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.577091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.577091 (E_RNA)
where:
Base-Base interactions energy: -303.257
where: short stacking energy: -154.660
Base-Backbone interact. energy: -0.034
local terms energy: -189.285790
where:
bonds (distance) C4'-P energy: -39.932
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -38.702
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -48.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -400.252066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.252066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.252066 (E_RNA)
where:
Base-Base interactions energy: -253.745
where: short stacking energy: -115.692
Base-Backbone interact. energy: 2.258
local terms energy: -148.765486
where:
bonds (distance) C4'-P energy: -31.388
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -34.704
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -31.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -312.711909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.711909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.711909 (E_RNA)
where:
Base-Base interactions energy: -191.268
where: short stacking energy: -105.042
Base-Backbone interact. energy: -1.457
local terms energy: -119.987125
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -31.888
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -20.294
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: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -307.695094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.695094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.695094 (E_RNA)
where:
Base-Base interactions energy: -194.757
where: short stacking energy: -90.437
Base-Backbone interact. energy: -0.221
local terms energy: -112.716931
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -32.678
flat angles C4'-P-C4' energy: -24.307
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -282.489343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.489343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.489343 (E_RNA)
where:
Base-Base interactions energy: -166.906
where: short stacking energy: -88.460
Base-Backbone interact. energy: -0.143
local terms energy: -115.440819
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -35.975
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -222.115915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.115915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.115915 (E_RNA)
where:
Base-Base interactions energy: -117.866
where: short stacking energy: -79.490
Base-Backbone interact. energy: -0.897
local terms energy: -103.353606
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -31.921
flat angles C4'-P-C4' energy: -23.323
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -577.818192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.818192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.818192 (E_RNA)
where:
Base-Base interactions energy: -387.482
where: short stacking energy: -182.348
Base-Backbone interact. energy: -0.298
local terms energy: -190.038216
where:
bonds (distance) C4'-P energy: -34.753
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -33.352
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -50.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -558.476274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.476274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.476274 (E_RNA)
where:
Base-Base interactions energy: -372.196
where: short stacking energy: -174.894
Base-Backbone interact. energy: -0.660
local terms energy: -185.620181
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -36.523
flat angles P-C4'-P energy: -27.891
tors. eta vs tors. theta energy: -51.872
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: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -509.203920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.203920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.203920 (E_RNA)
where:
Base-Base interactions energy: -340.482
where: short stacking energy: -160.234
Base-Backbone interact. energy: -1.813
local terms energy: -166.908725
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -37.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -483.261644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.261644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.261644 (E_RNA)
where:
Base-Base interactions energy: -313.574
where: short stacking energy: -148.278
Base-Backbone interact. energy: -0.345
local terms energy: -169.342655
where:
bonds (distance) C4'-P energy: -31.550
bonds (distance) P-C4' energy: -36.714
flat angles C4'-P-C4' energy: -37.200
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -36.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -415.267143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.267143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.267143 (E_RNA)
where:
Base-Base interactions energy: -255.431
where: short stacking energy: -121.202
Base-Backbone interact. energy: -0.525
local terms energy: -159.311223
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -35.178
flat angles C4'-P-C4' energy: -33.718
flat angles P-C4'-P energy: -26.354
tors. eta vs tors. theta energy: -32.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -447.848936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.848936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.848936 (E_RNA)
where:
Base-Base interactions energy: -299.601
where: short stacking energy: -136.295
Base-Backbone interact. energy: -0.275
local terms energy: -147.973328
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -34.815
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: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -319.769784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.769784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.769784 (E_RNA)
where:
Base-Base interactions energy: -193.690
where: short stacking energy: -110.875
Base-Backbone interact. energy: -0.367
local terms energy: -125.712487
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -28.250
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -281.261218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.261218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.261218 (E_RNA)
where:
Base-Base interactions energy: -166.710
where: short stacking energy: -78.166
Base-Backbone interact. energy: -0.521
local terms energy: -114.030221
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -26.380
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -11.004
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: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -288.125248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.125248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.125248 (E_RNA)
where:
Base-Base interactions energy: -187.589
where: short stacking energy: -96.270
Base-Backbone interact. energy: 0.643
local terms energy: -101.179888
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -23.255
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -9.021
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: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -215.651359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.651359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.651359 (E_RNA)
where:
Base-Base interactions energy: -105.966
where: short stacking energy: -58.354
Base-Backbone interact. energy: 2.942
local terms energy: -112.627179
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -25.866
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -7.768
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: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -581.890385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.890385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.890385 (E_RNA)
where:
Base-Base interactions energy: -396.547
where: short stacking energy: -183.871
Base-Backbone interact. energy: 0.347
local terms energy: -185.689839
where:
bonds (distance) C4'-P energy: -35.793
bonds (distance) P-C4' energy: -28.655
flat angles C4'-P-C4' energy: -41.144
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: -51.895
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: 293
Temperature: 0.950000
Total energy: -558.843772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.843772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.843772 (E_RNA)
where:
Base-Base interactions energy: -367.559
where: short stacking energy: -173.085
Base-Backbone interact. energy: -0.432
local terms energy: -190.852894
where:
bonds (distance) C4'-P energy: -41.729
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -35.182
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -48.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -519.963984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.963984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.963984 (E_RNA)
where:
Base-Base interactions energy: -345.251
where: short stacking energy: -156.937
Base-Backbone interact. energy: 0.380
local terms energy: -175.092740
where:
bonds (distance) C4'-P energy: -33.193
bonds (distance) P-C4' energy: -34.751
flat angles C4'-P-C4' energy: -38.992
flat angles P-C4'-P energy: -24.134
tors. eta vs tors. theta energy: -44.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -488.795599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.795599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.795599 (E_RNA)
where:
Base-Base interactions energy: -325.846
where: short stacking energy: -151.715
Base-Backbone interact. energy: -0.197
local terms energy: -162.752361
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -27.827
tors. eta vs tors. theta energy: -37.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -431.233608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.233608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.233608 (E_RNA)
where:
Base-Base interactions energy: -282.346
where: short stacking energy: -133.858
Base-Backbone interact. energy: -0.242
local terms energy: -148.645523
where:
bonds (distance) C4'-P energy: -33.842
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -22.775
tors. eta vs tors. theta energy: -32.346
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: 293
Temperature: 1.150000
Total energy: -461.099262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.099262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.099262 (E_RNA)
where:
Base-Base interactions energy: -307.013
where: short stacking energy: -131.523
Base-Backbone interact. energy: 0.938
local terms energy: -155.024389
where:
bonds (distance) C4'-P energy: -31.484
bonds (distance) P-C4' energy: -28.956
flat angles C4'-P-C4' energy: -32.159
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -40.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -360.018112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.018112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.018112 (E_RNA)
where:
Base-Base interactions energy: -211.892
where: short stacking energy: -112.521
Base-Backbone interact. energy: -0.335
local terms energy: -147.791598
where:
bonds (distance) C4'-P energy: -36.380
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: -27.125
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: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -314.215260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.215260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.215260 (E_RNA)
where:
Base-Base interactions energy: -198.815
where: short stacking energy: -104.673
Base-Backbone interact. energy: -0.333
local terms energy: -115.066911
where:
bonds (distance) C4'-P energy: -31.657
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -257.585019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.585019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.585019 (E_RNA)
where:
Base-Base interactions energy: -148.981
where: short stacking energy: -89.670
Base-Backbone interact. energy: -0.426
local terms energy: -108.178713
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -10.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -163.510745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.510745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.510745 (E_RNA)
where:
Base-Base interactions energy: -68.044
where: short stacking energy: -46.351
Base-Backbone interact. energy: -0.634
local terms energy: -94.832760
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -29.118
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: 4.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -588.807009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.807009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.807009 (E_RNA)
where:
Base-Base interactions energy: -403.830
where: short stacking energy: -182.199
Base-Backbone interact. energy: -0.121
local terms energy: -184.855618
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -34.931
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -28.281
tors. eta vs tors. theta energy: -50.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -555.462084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.462084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.462084 (E_RNA)
where:
Base-Base interactions energy: -378.498
where: short stacking energy: -185.818
Base-Backbone interact. energy: -0.501
local terms energy: -176.463464
where:
bonds (distance) C4'-P energy: -35.544
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -40.362
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -52.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -516.464105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.464105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.464105 (E_RNA)
where:
Base-Base interactions energy: -345.135
where: short stacking energy: -166.007
Base-Backbone interact. energy: -0.871
local terms energy: -170.457669
where:
bonds (distance) C4'-P energy: -28.653
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: -46.779
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: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -494.255673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.255673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.255673 (E_RNA)
where:
Base-Base interactions energy: -327.590
where: short stacking energy: -167.565
Base-Backbone interact. energy: 0.289
local terms energy: -166.954502
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -35.229
flat angles P-C4'-P energy: -30.795
tors. eta vs tors. theta energy: -42.896
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: 294
Temperature: 1.100000
Total energy: -451.777884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.777884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.777884 (E_RNA)
where:
Base-Base interactions energy: -289.009
where: short stacking energy: -136.448
Base-Backbone interact. energy: -0.174
local terms energy: -162.595327
where:
bonds (distance) C4'-P energy: -31.341
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -432.504077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.504077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.504077 (E_RNA)
where:
Base-Base interactions energy: -294.092
where: short stacking energy: -142.535
Base-Backbone interact. energy: -0.495
local terms energy: -137.917463
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -22.301
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: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -335.143484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.143484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.143484 (E_RNA)
where:
Base-Base interactions energy: -216.265
where: short stacking energy: -105.498
Base-Backbone interact. energy: -1.449
local terms energy: -117.428607
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -32.429
flat angles C4'-P-C4' energy: -30.689
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -18.453
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: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -321.922608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.922608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.922608 (E_RNA)
where:
Base-Base interactions energy: -193.978
where: short stacking energy: -90.235
Base-Backbone interact. energy: -1.034
local terms energy: -126.910996
where:
bonds (distance) C4'-P energy: -34.296
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -30.764
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -13.807
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: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -233.979953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.979953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.979953 (E_RNA)
where:
Base-Base interactions energy: -133.528
where: short stacking energy: -68.038
Base-Backbone interact. energy: 1.135
local terms energy: -101.587239
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -35.284
flat angles C4'-P-C4' energy: -31.595
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -3.955
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: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -166.110664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.110664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.110664 (E_RNA)
where:
Base-Base interactions energy: -63.464
where: short stacking energy: -62.025
Base-Backbone interact. energy: -1.127
local terms energy: -101.519368
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -39.441
flat angles C4'-P-C4' energy: -28.753
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -575.271418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.271418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.271418 (E_RNA)
where:
Base-Base interactions energy: -390.476
where: short stacking energy: -183.490
Base-Backbone interact. energy: -0.160
local terms energy: -184.635962
where:
bonds (distance) C4'-P energy: -30.248
bonds (distance) P-C4' energy: -37.568
flat angles C4'-P-C4' energy: -38.560
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -48.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -544.963082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.963082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.963082 (E_RNA)
where:
Base-Base interactions energy: -360.251
where: short stacking energy: -181.305
Base-Backbone interact. energy: -0.056
local terms energy: -184.656477
where:
bonds (distance) C4'-P energy: -35.442
bonds (distance) P-C4' energy: -36.487
flat angles C4'-P-C4' energy: -37.896
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -51.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -488.190139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.190139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.190139 (E_RNA)
where:
Base-Base interactions energy: -334.450
where: short stacking energy: -157.282
Base-Backbone interact. energy: 1.992
local terms energy: -155.732291
where:
bonds (distance) C4'-P energy: -33.221
bonds (distance) P-C4' energy: -30.875
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: -31.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -489.190526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.190526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.190526 (E_RNA)
where:
Base-Base interactions energy: -306.767
where: short stacking energy: -140.354
Base-Backbone interact. energy: -0.358
local terms energy: -182.065800
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -35.210
flat angles C4'-P-C4' energy: -37.266
flat angles P-C4'-P energy: -34.901
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -453.127626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.127626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.127626 (E_RNA)
where:
Base-Base interactions energy: -290.084
where: short stacking energy: -136.163
Base-Backbone interact. energy: -0.498
local terms energy: -162.545954
where:
bonds (distance) C4'-P energy: -31.205
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -37.834
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: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -427.781299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.781299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.781299 (E_RNA)
where:
Base-Base interactions energy: -279.275
where: short stacking energy: -139.113
Base-Backbone interact. energy: 1.388
local terms energy: -149.894008
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -33.970
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: 295
Temperature: 1.200000
Total energy: -325.563131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.563131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.563131 (E_RNA)
where:
Base-Base interactions energy: -197.520
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.030
local terms energy: -128.013327
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -29.920
flat angles C4'-P-C4' energy: -35.024
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -317.569498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.569498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.569498 (E_RNA)
where:
Base-Base interactions energy: -198.628
where: short stacking energy: -96.366
Base-Backbone interact. energy: 1.503
local terms energy: -120.445116
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -25.963
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -233.804793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.804793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.804793 (E_RNA)
where:
Base-Base interactions energy: -117.977
where: short stacking energy: -73.949
Base-Backbone interact. energy: 0.495
local terms energy: -116.323236
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -31.767
flat angles C4'-P-C4' energy: -32.258
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -9.433
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: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -171.344711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.344711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.344711 (E_RNA)
where:
Base-Base interactions energy: -69.003
where: short stacking energy: -49.379
Base-Backbone interact. energy: 2.415
local terms energy: -104.756569
where:
bonds (distance) C4'-P energy: -32.505
bonds (distance) P-C4' energy: -31.564
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -566.980245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.980245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.980245 (E_RNA)
where:
Base-Base interactions energy: -390.071
where: short stacking energy: -189.757
Base-Backbone interact. energy: -0.394
local terms energy: -176.515682
where:
bonds (distance) C4'-P energy: -25.584
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -37.970
flat angles P-C4'-P energy: -28.529
tors. eta vs tors. theta energy: -49.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -521.176279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.176279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.176279 (E_RNA)
where:
Base-Base interactions energy: -351.436
where: short stacking energy: -162.748
Base-Backbone interact. energy: -0.462
local terms energy: -169.278563
where:
bonds (distance) C4'-P energy: -30.140
bonds (distance) P-C4' energy: -34.869
flat angles C4'-P-C4' energy: -41.426
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -43.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -535.499418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.499418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.499418 (E_RNA)
where:
Base-Base interactions energy: -362.313
where: short stacking energy: -171.695
Base-Backbone interact. energy: -0.591
local terms energy: -172.596189
where:
bonds (distance) C4'-P energy: -32.986
bonds (distance) P-C4' energy: -36.805
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -46.182
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: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -474.998521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.998521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.998521 (E_RNA)
where:
Base-Base interactions energy: -322.859
where: short stacking energy: -148.843
Base-Backbone interact. energy: -0.626
local terms energy: -151.513893
where:
bonds (distance) C4'-P energy: -30.772
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -38.752
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -31.542
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: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -494.768776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.768776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.768776 (E_RNA)
where:
Base-Base interactions energy: -319.508
where: short stacking energy: -162.306
Base-Backbone interact. energy: -0.236
local terms energy: -175.024074
where:
bonds (distance) C4'-P energy: -33.111
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -33.616
flat angles P-C4'-P energy: -25.564
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: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -475.274858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.274858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.274858 (E_RNA)
where:
Base-Base interactions energy: -305.832
where: short stacking energy: -125.410
Base-Backbone interact. energy: 0.727
local terms energy: -170.170120
where:
bonds (distance) C4'-P energy: -33.313
bonds (distance) P-C4' energy: -36.781
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -35.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -359.792840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.792840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.792840 (E_RNA)
where:
Base-Base interactions energy: -221.643
where: short stacking energy: -105.446
Base-Backbone interact. energy: -1.462
local terms energy: -136.687949
where:
bonds (distance) C4'-P energy: -31.578
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -34.575
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -293.526127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.526127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.526127 (E_RNA)
where:
Base-Base interactions energy: -173.759
where: short stacking energy: -95.178
Base-Backbone interact. energy: 0.032
local terms energy: -119.799627
where:
bonds (distance) C4'-P energy: -22.599
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -29.524
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -232.382621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.382621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.382621 (E_RNA)
where:
Base-Base interactions energy: -121.168
where: short stacking energy: -79.999
Base-Backbone interact. energy: -0.220
local terms energy: -110.994037
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -31.283
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -14.133
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: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -158.486546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.486546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.486546 (E_RNA)
where:
Base-Base interactions energy: -52.655
where: short stacking energy: -50.992
Base-Backbone interact. energy: 1.794
local terms energy: -107.625643
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -32.349
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -584.096780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.096780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.096780 (E_RNA)
where:
Base-Base interactions energy: -394.048
where: short stacking energy: -187.451
Base-Backbone interact. energy: -0.617
local terms energy: -189.432330
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -32.298
flat angles C4'-P-C4' energy: -40.144
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -55.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -525.945195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.945195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.945195 (E_RNA)
where:
Base-Base interactions energy: -355.061
where: short stacking energy: -162.368
Base-Backbone interact. energy: -1.238
local terms energy: -169.645999
where:
bonds (distance) C4'-P energy: -31.338
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -35.538
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -544.568307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.568307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.568307 (E_RNA)
where:
Base-Base interactions energy: -364.225
where: short stacking energy: -170.770
Base-Backbone interact. energy: -0.642
local terms energy: -179.700807
where:
bonds (distance) C4'-P energy: -35.347
bonds (distance) P-C4' energy: -35.096
flat angles C4'-P-C4' energy: -40.255
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -47.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -493.035697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.035697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.035697 (E_RNA)
where:
Base-Base interactions energy: -322.544
where: short stacking energy: -161.220
Base-Backbone interact. energy: -0.495
local terms energy: -169.996436
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -32.092
flat angles C4'-P-C4' energy: -42.250
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: -49.021
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: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -482.987362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.987362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.987362 (E_RNA)
where:
Base-Base interactions energy: -336.508
where: short stacking energy: -152.710
Base-Backbone interact. energy: -0.672
local terms energy: -145.807353
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -35.774
flat angles C4'-P-C4' energy: -31.066
flat angles P-C4'-P energy: -18.961
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: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -495.249828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.249828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.249828 (E_RNA)
where:
Base-Base interactions energy: -343.501
where: short stacking energy: -155.471
Base-Backbone interact. energy: 0.930
local terms energy: -152.679665
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -36.477
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -45.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -361.452332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.452332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.452332 (E_RNA)
where:
Base-Base interactions energy: -237.886
where: short stacking energy: -124.591
Base-Backbone interact. energy: -0.160
local terms energy: -123.407056
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -31.467
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -291.944099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.944099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.944099 (E_RNA)
where:
Base-Base interactions energy: -173.458
where: short stacking energy: -80.648
Base-Backbone interact. energy: 1.334
local terms energy: -119.820449
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -30.883
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -221.732502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.732502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.732502 (E_RNA)
where:
Base-Base interactions energy: -123.646
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.814
local terms energy: -97.273331
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -34.963
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: 5.027
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: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -174.903084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.903084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.903084 (E_RNA)
where:
Base-Base interactions energy: -72.599
where: short stacking energy: -56.719
Base-Backbone interact. energy: -1.339
local terms energy: -100.964727
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -581.981557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.981557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.981557 (E_RNA)
where:
Base-Base interactions energy: -398.247
where: short stacking energy: -180.528
Base-Backbone interact. energy: -0.132
local terms energy: -183.602834
where:
bonds (distance) C4'-P energy: -31.063
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -54.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -527.376571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.376571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.376571 (E_RNA)
where:
Base-Base interactions energy: -345.472
where: short stacking energy: -165.713
Base-Backbone interact. energy: -0.917
local terms energy: -180.987122
where:
bonds (distance) C4'-P energy: -35.818
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -38.987
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -48.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -523.357480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.357480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.357480 (E_RNA)
where:
Base-Base interactions energy: -345.045
where: short stacking energy: -171.759
Base-Backbone interact. energy: -0.008
local terms energy: -178.304572
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -31.703
flat angles C4'-P-C4' energy: -38.890
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -46.008
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: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -509.090847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.090847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.090847 (E_RNA)
where:
Base-Base interactions energy: -332.325
where: short stacking energy: -167.710
Base-Backbone interact. energy: 0.539
local terms energy: -177.305590
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -38.746
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -46.240
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: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -480.704998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.704998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.704998 (E_RNA)
where:
Base-Base interactions energy: -319.737
where: short stacking energy: -147.304
Base-Backbone interact. energy: 0.149
local terms energy: -161.116302
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -43.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -475.939202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.939202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.939202 (E_RNA)
where:
Base-Base interactions energy: -324.710
where: short stacking energy: -140.005
Base-Backbone interact. energy: -0.848
local terms energy: -150.380619
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -34.620
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: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -334.778522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.778522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.778522 (E_RNA)
where:
Base-Base interactions energy: -201.514
where: short stacking energy: -105.670
Base-Backbone interact. energy: -1.315
local terms energy: -131.949889
where:
bonds (distance) C4'-P energy: -31.972
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -351.463571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.463571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.463571 (E_RNA)
where:
Base-Base interactions energy: -222.236
where: short stacking energy: -120.177
Base-Backbone interact. energy: -0.347
local terms energy: -128.880291
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -29.702
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -233.845506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.845506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.845506 (E_RNA)
where:
Base-Base interactions energy: -114.374
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.777
local terms energy: -118.694750
where:
bonds (distance) C4'-P energy: -30.226
bonds (distance) P-C4' energy: -34.079
flat angles C4'-P-C4' energy: -27.547
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: -2.242
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: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -165.355373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.355373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.355373 (E_RNA)
where:
Base-Base interactions energy: -41.923
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.012
local terms energy: -123.420129
where:
bonds (distance) C4'-P energy: -37.677
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -34.041
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -560.934549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.934549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.934549 (E_RNA)
where:
Base-Base interactions energy: -376.909
where: short stacking energy: -174.432
Base-Backbone interact. energy: -0.080
local terms energy: -183.945546
where:
bonds (distance) C4'-P energy: -34.730
bonds (distance) P-C4' energy: -26.704
flat angles C4'-P-C4' energy: -42.199
flat angles P-C4'-P energy: -31.614
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -527.968844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.968844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.968844 (E_RNA)
where:
Base-Base interactions energy: -354.303
where: short stacking energy: -162.677
Base-Backbone interact. energy: -0.919
local terms energy: -172.746870
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -43.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -511.645958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.645958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.645958 (E_RNA)
where:
Base-Base interactions energy: -346.915
where: short stacking energy: -157.555
Base-Backbone interact. energy: -0.367
local terms energy: -164.364333
where:
bonds (distance) C4'-P energy: -34.384
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -45.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -504.463411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.463411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.463411 (E_RNA)
where:
Base-Base interactions energy: -327.015
where: short stacking energy: -160.063
Base-Backbone interact. energy: -0.157
local terms energy: -177.291328
where:
bonds (distance) C4'-P energy: -33.205
bonds (distance) P-C4' energy: -37.561
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -22.574
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -458.928347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.928347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.928347 (E_RNA)
where:
Base-Base interactions energy: -300.659
where: short stacking energy: -162.809
Base-Backbone interact. energy: -0.531
local terms energy: -157.738066
where:
bonds (distance) C4'-P energy: -28.530
bonds (distance) P-C4' energy: -33.143
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -43.457
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: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -460.515757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.515757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.515757 (E_RNA)
where:
Base-Base interactions energy: -309.589
where: short stacking energy: -130.970
Base-Backbone interact. energy: -0.590
local terms energy: -150.337289
where:
bonds (distance) C4'-P energy: -37.081
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -30.364
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -30.863
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: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -333.405078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.405078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.405078 (E_RNA)
where:
Base-Base interactions energy: -194.180
where: short stacking energy: -98.687
Base-Backbone interact. energy: -0.502
local terms energy: -138.723333
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -32.208
flat angles C4'-P-C4' energy: -31.572
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -326.873676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.873676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.873676 (E_RNA)
where:
Base-Base interactions energy: -192.748
where: short stacking energy: -94.879
Base-Backbone interact. energy: -0.308
local terms energy: -133.818238
where:
bonds (distance) C4'-P energy: -35.653
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -33.340
flat angles P-C4'-P energy: -19.211
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: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -228.655876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.655876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.655876 (E_RNA)
where:
Base-Base interactions energy: -109.949
where: short stacking energy: -70.245
Base-Backbone interact. energy: 0.855
local terms energy: -119.561774
where:
bonds (distance) C4'-P energy: -36.943
bonds (distance) P-C4' energy: -27.960
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -162.401726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.401726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.401726 (E_RNA)
where:
Base-Base interactions energy: -68.024
where: short stacking energy: -57.424
Base-Backbone interact. energy: 0.091
local terms energy: -94.468818
where:
bonds (distance) C4'-P energy: -25.410
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -26.035
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -572.018498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.018498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.018498 (E_RNA)
where:
Base-Base interactions energy: -385.427
where: short stacking energy: -174.389
Base-Backbone interact. energy: -0.241
local terms energy: -186.349873
where:
bonds (distance) C4'-P energy: -39.011
bonds (distance) P-C4' energy: -36.173
flat angles C4'-P-C4' energy: -35.396
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -51.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -514.336545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.336545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.336545 (E_RNA)
where:
Base-Base interactions energy: -353.891
where: short stacking energy: -163.029
Base-Backbone interact. energy: -0.584
local terms energy: -159.861077
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -43.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -504.341029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.341029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.341029 (E_RNA)
where:
Base-Base interactions energy: -343.501
where: short stacking energy: -162.551
Base-Backbone interact. energy: 0.749
local terms energy: -161.589582
where:
bonds (distance) C4'-P energy: -28.348
bonds (distance) P-C4' energy: -38.462
flat angles C4'-P-C4' energy: -36.772
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -34.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -499.218339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.218339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.218339 (E_RNA)
where:
Base-Base interactions energy: -333.393
where: short stacking energy: -154.367
Base-Backbone interact. energy: 0.082
local terms energy: -165.908098
where:
bonds (distance) C4'-P energy: -26.952
bonds (distance) P-C4' energy: -34.452
flat angles C4'-P-C4' energy: -31.837
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -49.157
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: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -473.128328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.128328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.128328 (E_RNA)
where:
Base-Base interactions energy: -310.088
where: short stacking energy: -140.475
Base-Backbone interact. energy: 1.130
local terms energy: -164.170172
where:
bonds (distance) C4'-P energy: -30.834
bonds (distance) P-C4' energy: -36.036
flat angles C4'-P-C4' energy: -40.961
flat angles P-C4'-P energy: -21.642
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: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -442.707854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.707854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.707854 (E_RNA)
where:
Base-Base interactions energy: -286.328
where: short stacking energy: -128.063
Base-Backbone interact. energy: 0.066
local terms energy: -156.446250
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -32.639
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -34.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -342.320802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.320802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.320802 (E_RNA)
where:
Base-Base interactions energy: -209.089
where: short stacking energy: -106.071
Base-Backbone interact. energy: -0.586
local terms energy: -132.646568
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -29.413
flat angles C4'-P-C4' energy: -26.403
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -312.029587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.029587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.029587 (E_RNA)
where:
Base-Base interactions energy: -181.883
where: short stacking energy: -91.264
Base-Backbone interact. energy: -0.687
local terms energy: -129.459523
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -30.147
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -26.466
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -240.053827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.053827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.053827 (E_RNA)
where:
Base-Base interactions energy: -128.108
where: short stacking energy: -80.181
Base-Backbone interact. energy: -0.181
local terms energy: -111.765048
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -30.648
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -18.745
tors. eta vs tors. theta energy: -13.305
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: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -158.089490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.089490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.089490 (E_RNA)
where:
Base-Base interactions energy: -63.542
where: short stacking energy: -56.104
Base-Backbone interact. energy: 1.591
local terms energy: -96.137954
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -33.065
flat angles C4'-P-C4' energy: -24.273
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: 0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -570.628297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.628297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.628297 (E_RNA)
where:
Base-Base interactions energy: -398.110
where: short stacking energy: -187.125
Base-Backbone interact. energy: -1.681
local terms energy: -170.837074
where:
bonds (distance) C4'-P energy: -34.246
bonds (distance) P-C4' energy: -26.903
flat angles C4'-P-C4' energy: -41.275
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -44.942
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: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -540.137251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.137251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.137251 (E_RNA)
where:
Base-Base interactions energy: -354.302
where: short stacking energy: -180.252
Base-Backbone interact. energy: -0.430
local terms energy: -185.405431
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -39.166
flat angles C4'-P-C4' energy: -38.832
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -52.865
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: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -522.543685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.543685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.543685 (E_RNA)
where:
Base-Base interactions energy: -354.769
where: short stacking energy: -159.130
Base-Backbone interact. energy: -0.594
local terms energy: -167.180718
where:
bonds (distance) C4'-P energy: -34.258
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -37.638
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -43.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -515.318818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.318818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.318818 (E_RNA)
where:
Base-Base interactions energy: -336.389
where: short stacking energy: -177.564
Base-Backbone interact. energy: -0.142
local terms energy: -178.787243
where:
bonds (distance) C4'-P energy: -39.978
bonds (distance) P-C4' energy: -34.221
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -51.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -482.087161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.087161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.087161 (E_RNA)
where:
Base-Base interactions energy: -318.517
where: short stacking energy: -133.707
Base-Backbone interact. energy: -0.874
local terms energy: -162.696585
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -33.850
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -27.542
tors. eta vs tors. theta energy: -30.910
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: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -373.861463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.861463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.861463 (E_RNA)
where:
Base-Base interactions energy: -245.871
where: short stacking energy: -110.842
Base-Backbone interact. energy: 0.505
local terms energy: -128.495300
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -32.355
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -318.081319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.081319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.081319 (E_RNA)
where:
Base-Base interactions energy: -196.753
where: short stacking energy: -97.427
Base-Backbone interact. energy: 0.411
local terms energy: -121.739425
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -30.814
flat angles C4'-P-C4' energy: -33.348
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -14.478
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: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -331.535799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.535799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.535799 (E_RNA)
where:
Base-Base interactions energy: -209.990
where: short stacking energy: -107.627
Base-Backbone interact. energy: -0.291
local terms energy: -121.254599
where:
bonds (distance) C4'-P energy: -24.243
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -271.847383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.847383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.847383 (E_RNA)
where:
Base-Base interactions energy: -149.480
where: short stacking energy: -88.735
Base-Backbone interact. energy: -0.460
local terms energy: -121.907824
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -19.916
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: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -162.889649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.889649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.889649 (E_RNA)
where:
Base-Base interactions energy: -63.995
where: short stacking energy: -60.280
Base-Backbone interact. energy: 0.670
local terms energy: -99.564584
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -29.574
flat angles C4'-P-C4' energy: -29.506
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -578.764094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.764094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.764094 (E_RNA)
where:
Base-Base interactions energy: -395.397
where: short stacking energy: -189.128
Base-Backbone interact. energy: -0.087
local terms energy: -183.280288
where:
bonds (distance) C4'-P energy: -33.862
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -38.719
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -47.413
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: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -529.349333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.349333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.349333 (E_RNA)
where:
Base-Base interactions energy: -360.058
where: short stacking energy: -172.303
Base-Backbone interact. energy: -0.457
local terms energy: -168.834668
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -33.272
flat angles C4'-P-C4' energy: -38.045
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: -37.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -517.467638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.467638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.467638 (E_RNA)
where:
Base-Base interactions energy: -346.034
where: short stacking energy: -190.274
Base-Backbone interact. energy: -0.125
local terms energy: -171.308440
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -37.599
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -51.352
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: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -519.397136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.397136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.397136 (E_RNA)
where:
Base-Base interactions energy: -356.132
where: short stacking energy: -159.141
Base-Backbone interact. energy: -0.599
local terms energy: -162.666099
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -34.274
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -40.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -493.139282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.139282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.139282 (E_RNA)
where:
Base-Base interactions energy: -331.584
where: short stacking energy: -135.853
Base-Backbone interact. energy: -1.007
local terms energy: -160.548456
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: -32.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -406.066379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.066379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.066379 (E_RNA)
where:
Base-Base interactions energy: -260.320
where: short stacking energy: -127.365
Base-Backbone interact. energy: -0.195
local terms energy: -145.551732
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -32.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -328.239120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.239120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.239120 (E_RNA)
where:
Base-Base interactions energy: -205.053
where: short stacking energy: -102.802
Base-Backbone interact. energy: -0.196
local terms energy: -122.990258
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -27.475
flat angles C4'-P-C4' energy: -31.454
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -20.323
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: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -341.226480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.226480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.226480 (E_RNA)
where:
Base-Base interactions energy: -226.866
where: short stacking energy: -107.927
Base-Backbone interact. energy: 2.510
local terms energy: -116.870687
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -22.639
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: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -231.319667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.319667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.319667 (E_RNA)
where:
Base-Base interactions energy: -117.213
where: short stacking energy: -60.085
Base-Backbone interact. energy: 1.095
local terms energy: -115.202008
where:
bonds (distance) C4'-P energy: -26.255
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -168.244027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.244027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.244027 (E_RNA)
where:
Base-Base interactions energy: -61.829
where: short stacking energy: -57.537
Base-Backbone interact. energy: 2.030
local terms energy: -108.444517
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -28.306
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -589.839892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.839892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.839892 (E_RNA)
where:
Base-Base interactions energy: -388.178
where: short stacking energy: -188.582
Base-Backbone interact. energy: -0.512
local terms energy: -201.149677
where:
bonds (distance) C4'-P energy: -33.042
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -39.529
flat angles P-C4'-P energy: -31.001
tors. eta vs tors. theta energy: -57.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -531.665894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.665894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.665894 (E_RNA)
where:
Base-Base interactions energy: -356.998
where: short stacking energy: -164.728
Base-Backbone interact. energy: -0.515
local terms energy: -174.153023
where:
bonds (distance) C4'-P energy: -35.418
bonds (distance) P-C4' energy: -29.939
flat angles C4'-P-C4' energy: -38.247
flat angles P-C4'-P energy: -23.874
tors. eta vs tors. theta energy: -46.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -488.754687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.754687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.754687 (E_RNA)
where:
Base-Base interactions energy: -315.397
where: short stacking energy: -162.144
Base-Backbone interact. energy: -0.109
local terms energy: -173.248466
where:
bonds (distance) C4'-P energy: -28.155
bonds (distance) P-C4' energy: -33.901
flat angles C4'-P-C4' energy: -40.671
flat angles P-C4'-P energy: -23.272
tors. eta vs tors. theta energy: -47.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -485.274182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.274182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.274182 (E_RNA)
where:
Base-Base interactions energy: -320.232
where: short stacking energy: -155.117
Base-Backbone interact. energy: 1.892
local terms energy: -166.934251
where:
bonds (distance) C4'-P energy: -34.307
bonds (distance) P-C4' energy: -33.130
flat angles C4'-P-C4' energy: -33.904
flat angles P-C4'-P energy: -27.499
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -508.202860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.202860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.202860 (E_RNA)
where:
Base-Base interactions energy: -345.423
where: short stacking energy: -169.579
Base-Backbone interact. energy: -0.267
local terms energy: -162.512880
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -35.665
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -50.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -364.990794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.990794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.990794 (E_RNA)
where:
Base-Base interactions energy: -213.674
where: short stacking energy: -113.785
Base-Backbone interact. energy: -1.642
local terms energy: -149.675003
where:
bonds (distance) C4'-P energy: -38.541
bonds (distance) P-C4' energy: -35.965
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -383.518880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.518880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.518880 (E_RNA)
where:
Base-Base interactions energy: -246.468
where: short stacking energy: -122.689
Base-Backbone interact. energy: -0.034
local terms energy: -137.016393
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -262.293944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.293944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.293944 (E_RNA)
where:
Base-Base interactions energy: -145.961
where: short stacking energy: -77.603
Base-Backbone interact. energy: -0.396
local terms energy: -115.936376
where:
bonds (distance) C4'-P energy: -28.958
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -14.903
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: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -322.431784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.431784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.431784 (E_RNA)
where:
Base-Base interactions energy: -200.391
where: short stacking energy: -91.826
Base-Backbone interact. energy: -0.167
local terms energy: -121.874067
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -32.534
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -161.531014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.531014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.531014 (E_RNA)
where:
Base-Base interactions energy: -58.190
where: short stacking energy: -54.929
Base-Backbone interact. energy: 2.745
local terms energy: -106.086098
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -28.712
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -561.834282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.834282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.834282 (E_RNA)
where:
Base-Base interactions energy: -366.507
where: short stacking energy: -179.339
Base-Backbone interact. energy: 1.404
local terms energy: -196.731066
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -41.417
flat angles C4'-P-C4' energy: -39.099
flat angles P-C4'-P energy: -27.617
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: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -539.813001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.813001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.813001 (E_RNA)
where:
Base-Base interactions energy: -345.856
where: short stacking energy: -162.214
Base-Backbone interact. energy: -0.428
local terms energy: -193.528649
where:
bonds (distance) C4'-P energy: -37.715
bonds (distance) P-C4' energy: -38.576
flat angles C4'-P-C4' energy: -39.622
flat angles P-C4'-P energy: -32.309
tors. eta vs tors. theta energy: -45.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -517.916226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.916226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.916226 (E_RNA)
where:
Base-Base interactions energy: -343.888
where: short stacking energy: -175.543
Base-Backbone interact. energy: -0.515
local terms energy: -173.512853
where:
bonds (distance) C4'-P energy: -32.847
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -39.740
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -44.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -475.402345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.402345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.402345 (E_RNA)
where:
Base-Base interactions energy: -319.699
where: short stacking energy: -139.866
Base-Backbone interact. energy: 2.367
local terms energy: -158.070306
where:
bonds (distance) C4'-P energy: -27.298
bonds (distance) P-C4' energy: -34.515
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -29.475
tors. eta vs tors. theta energy: -34.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -514.498996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.498996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.498996 (E_RNA)
where:
Base-Base interactions energy: -340.474
where: short stacking energy: -170.144
Base-Backbone interact. energy: 0.326
local terms energy: -174.350392
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -37.678
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -48.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -350.478223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.478223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.478223 (E_RNA)
where:
Base-Base interactions energy: -222.345
where: short stacking energy: -121.446
Base-Backbone interact. energy: -0.110
local terms energy: -128.023774
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -17.808
tors. eta vs tors. theta energy: -24.587
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: 304
Temperature: 1.200000
Total energy: -352.890151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.890151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.890151 (E_RNA)
where:
Base-Base interactions energy: -221.024
where: short stacking energy: -101.858
Base-Backbone interact. energy: -1.099
local terms energy: -130.767951
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -28.812
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -22.161
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: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -263.400845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.400845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.400845 (E_RNA)
where:
Base-Base interactions energy: -138.012
where: short stacking energy: -77.879
Base-Backbone interact. energy: -2.249
local terms energy: -123.140365
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -295.088703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.088703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.088703 (E_RNA)
where:
Base-Base interactions energy: -181.403
where: short stacking energy: -91.950
Base-Backbone interact. energy: 0.378
local terms energy: -114.063927
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -32.668
flat angles C4'-P-C4' energy: -30.567
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -216.719672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.719672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.719672 (E_RNA)
where:
Base-Base interactions energy: -116.688
where: short stacking energy: -71.694
Base-Backbone interact. energy: -0.403
local terms energy: -99.628143
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -29.522
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -9.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -561.590510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.590510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.590510 (E_RNA)
where:
Base-Base interactions energy: -371.882
where: short stacking energy: -172.940
Base-Backbone interact. energy: -0.501
local terms energy: -189.207306
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -37.826
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -51.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -545.636526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.636526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.636526 (E_RNA)
where:
Base-Base interactions energy: -375.480
where: short stacking energy: -183.949
Base-Backbone interact. energy: -0.936
local terms energy: -169.220671
where:
bonds (distance) C4'-P energy: -30.734
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -44.584
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: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -545.598691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.598691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.598691 (E_RNA)
where:
Base-Base interactions energy: -351.320
where: short stacking energy: -185.761
Base-Backbone interact. energy: -0.016
local terms energy: -194.263125
where:
bonds (distance) C4'-P energy: -37.899
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -38.818
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -59.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -488.439325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.439325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.439325 (E_RNA)
where:
Base-Base interactions energy: -325.389
where: short stacking energy: -135.853
Base-Backbone interact. energy: -0.455
local terms energy: -162.595371
where:
bonds (distance) C4'-P energy: -30.938
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -35.305
flat angles P-C4'-P energy: -27.953
tors. eta vs tors. theta energy: -33.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -494.356609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.356609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.356609 (E_RNA)
where:
Base-Base interactions energy: -333.568
where: short stacking energy: -149.164
Base-Backbone interact. energy: -0.598
local terms energy: -160.190108
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -31.331
flat angles C4'-P-C4' energy: -25.968
flat angles P-C4'-P energy: -28.837
tors. eta vs tors. theta energy: -37.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -351.126869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.126869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.126869 (E_RNA)
where:
Base-Base interactions energy: -193.326
where: short stacking energy: -102.652
Base-Backbone interact. energy: -0.132
local terms energy: -157.668352
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -39.004
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -22.158
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: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -347.791050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.791050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.791050 (E_RNA)
where:
Base-Base interactions energy: -215.639
where: short stacking energy: -105.476
Base-Backbone interact. energy: -0.886
local terms energy: -131.265953
where:
bonds (distance) C4'-P energy: -25.906
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -34.556
flat angles P-C4'-P energy: -17.173
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -308.519478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.519478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.519478 (E_RNA)
where:
Base-Base interactions energy: -194.148
where: short stacking energy: -89.793
Base-Backbone interact. energy: -0.459
local terms energy: -113.911921
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -25.963
flat angles C4'-P-C4' energy: -28.790
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -264.918367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.918367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.918367 (E_RNA)
where:
Base-Base interactions energy: -145.638
where: short stacking energy: -88.658
Base-Backbone interact. energy: -0.422
local terms energy: -118.858268
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -20.977
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: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -231.666441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.666441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.666441 (E_RNA)
where:
Base-Base interactions energy: -117.155
where: short stacking energy: -66.193
Base-Backbone interact. energy: 0.720
local terms energy: -115.231518
where:
bonds (distance) C4'-P energy: -33.636
bonds (distance) P-C4' energy: -34.052
flat angles C4'-P-C4' energy: -25.810
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -566.923132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.923132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.923132 (E_RNA)
where:
Base-Base interactions energy: -370.307
where: short stacking energy: -175.385
Base-Backbone interact. energy: -0.660
local terms energy: -195.956348
where:
bonds (distance) C4'-P energy: -36.501
bonds (distance) P-C4' energy: -39.716
flat angles C4'-P-C4' energy: -41.254
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -50.482
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: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -533.855493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.855493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.855493 (E_RNA)
where:
Base-Base interactions energy: -356.396
where: short stacking energy: -182.267
Base-Backbone interact. energy: -0.289
local terms energy: -177.170627
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -30.864
flat angles C4'-P-C4' energy: -36.922
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -51.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -502.791658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.791658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.791658 (E_RNA)
where:
Base-Base interactions energy: -334.759
where: short stacking energy: -153.458
Base-Backbone interact. energy: -0.298
local terms energy: -167.734704
where:
bonds (distance) C4'-P energy: -32.781
bonds (distance) P-C4' energy: -39.056
flat angles C4'-P-C4' energy: -34.027
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -39.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -508.801516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.801516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.801516 (E_RNA)
where:
Base-Base interactions energy: -340.056
where: short stacking energy: -188.214
Base-Backbone interact. energy: -0.013
local terms energy: -168.732184
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -28.144
tors. eta vs tors. theta energy: -52.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -501.187332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.187332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.187332 (E_RNA)
where:
Base-Base interactions energy: -338.443
where: short stacking energy: -163.362
Base-Backbone interact. energy: 0.174
local terms energy: -162.918302
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -35.873
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -26.495
tors. eta vs tors. theta energy: -38.644
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: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -369.522179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.522179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.522179 (E_RNA)
where:
Base-Base interactions energy: -235.436
where: short stacking energy: -107.557
Base-Backbone interact. energy: -0.861
local terms energy: -133.225353
where:
bonds (distance) C4'-P energy: -31.410
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -339.220995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.220995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.220995 (E_RNA)
where:
Base-Base interactions energy: -224.993
where: short stacking energy: -101.475
Base-Backbone interact. energy: -0.872
local terms energy: -113.356283
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -21.889
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -315.775877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.775877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.775877 (E_RNA)
where:
Base-Base interactions energy: -194.620
where: short stacking energy: -105.449
Base-Backbone interact. energy: 0.151
local terms energy: -121.307132
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -248.780423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.780423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.780423 (E_RNA)
where:
Base-Base interactions energy: -144.141
where: short stacking energy: -77.184
Base-Backbone interact. energy: 0.010
local terms energy: -104.649843
where:
bonds (distance) C4'-P energy: -24.439
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -14.847
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: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -243.865384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.865384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.865384 (E_RNA)
where:
Base-Base interactions energy: -129.945
where: short stacking energy: -75.120
Base-Backbone interact. energy: -0.190
local terms energy: -113.729674
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -28.770
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -575.322536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.322536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.322536 (E_RNA)
where:
Base-Base interactions energy: -384.861
where: short stacking energy: -198.604
Base-Backbone interact. energy: -0.012
local terms energy: -190.449633
where:
bonds (distance) C4'-P energy: -32.394
bonds (distance) P-C4' energy: -35.434
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -56.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -538.081644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.081644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.081644 (E_RNA)
where:
Base-Base interactions energy: -364.571
where: short stacking energy: -171.541
Base-Backbone interact. energy: -0.646
local terms energy: -172.864085
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -40.162
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -48.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -503.398265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.398265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.398265 (E_RNA)
where:
Base-Base interactions energy: -339.634
where: short stacking energy: -156.379
Base-Backbone interact. energy: -0.693
local terms energy: -163.070584
where:
bonds (distance) C4'-P energy: -27.843
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -39.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -522.954198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.954198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.954198 (E_RNA)
where:
Base-Base interactions energy: -340.624
where: short stacking energy: -166.056
Base-Backbone interact. energy: -0.745
local terms energy: -181.585126
where:
bonds (distance) C4'-P energy: -34.172
bonds (distance) P-C4' energy: -36.231
flat angles C4'-P-C4' energy: -36.173
flat angles P-C4'-P energy: -26.456
tors. eta vs tors. theta energy: -48.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -478.141606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.141606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.141606 (E_RNA)
where:
Base-Base interactions energy: -311.159
where: short stacking energy: -173.948
Base-Backbone interact. energy: -0.051
local terms energy: -166.931610
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -26.750
flat angles C4'-P-C4' energy: -38.612
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -49.453
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: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -344.060378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.060378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.060378 (E_RNA)
where:
Base-Base interactions energy: -195.840
where: short stacking energy: -111.535
Base-Backbone interact. energy: -0.234
local terms energy: -147.986363
where:
bonds (distance) C4'-P energy: -34.139
bonds (distance) P-C4' energy: -27.443
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -26.619
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -354.913667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.913667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.913667 (E_RNA)
where:
Base-Base interactions energy: -218.422
where: short stacking energy: -94.152
Base-Backbone interact. energy: -1.081
local terms energy: -135.410640
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -33.421
flat angles C4'-P-C4' energy: -31.812
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -22.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -324.200367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.200367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.200367 (E_RNA)
where:
Base-Base interactions energy: -194.997
where: short stacking energy: -108.447
Base-Backbone interact. energy: -0.596
local terms energy: -128.607331
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -29.716
flat angles C4'-P-C4' energy: -25.408
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -242.687672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.687672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.687672 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.278
local terms energy: -124.613295
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -37.288
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -15.062
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: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -234.748775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.748775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.748775 (E_RNA)
where:
Base-Base interactions energy: -126.979
where: short stacking energy: -80.626
Base-Backbone interact. energy: 0.028
local terms energy: -107.798467
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -15.239
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: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -570.974387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.974387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.974387 (E_RNA)
where:
Base-Base interactions energy: -381.887
where: short stacking energy: -175.270
Base-Backbone interact. energy: -1.281
local terms energy: -187.805741
where:
bonds (distance) C4'-P energy: -30.708
bonds (distance) P-C4' energy: -40.130
flat angles C4'-P-C4' energy: -38.502
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -50.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -537.444401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.444401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.444401 (E_RNA)
where:
Base-Base interactions energy: -357.567
where: short stacking energy: -169.617
Base-Backbone interact. energy: -1.117
local terms energy: -178.760405
where:
bonds (distance) C4'-P energy: -36.435
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -34.322
flat angles P-C4'-P energy: -28.283
tors. eta vs tors. theta energy: -42.107
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: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -507.598109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.598109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.598109 (E_RNA)
where:
Base-Base interactions energy: -326.291
where: short stacking energy: -153.782
Base-Backbone interact. energy: -1.251
local terms energy: -180.056215
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -34.070
flat angles C4'-P-C4' energy: -40.477
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -48.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -473.212062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.212062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.212062 (E_RNA)
where:
Base-Base interactions energy: -317.684
where: short stacking energy: -148.981
Base-Backbone interact. energy: -1.110
local terms energy: -154.418807
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -37.321
flat angles C4'-P-C4' energy: -29.971
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -28.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -483.331985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.331985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.331985 (E_RNA)
where:
Base-Base interactions energy: -312.940
where: short stacking energy: -161.053
Base-Backbone interact. energy: -0.023
local terms energy: -170.368856
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -35.786
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -44.333
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -358.333744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.333744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.333744 (E_RNA)
where:
Base-Base interactions energy: -208.857
where: short stacking energy: -121.295
Base-Backbone interact. energy: 1.242
local terms energy: -150.718784
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -38.154
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -29.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -349.627576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.627576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.627576 (E_RNA)
where:
Base-Base interactions energy: -218.726
where: short stacking energy: -100.060
Base-Backbone interact. energy: -0.788
local terms energy: -130.113557
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -33.736
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -321.721681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.721681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.721681 (E_RNA)
where:
Base-Base interactions energy: -181.449
where: short stacking energy: -102.049
Base-Backbone interact. energy: -0.244
local terms energy: -140.029185
where:
bonds (distance) C4'-P energy: -30.931
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -255.399278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.399278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.399278 (E_RNA)
where:
Base-Base interactions energy: -129.241
where: short stacking energy: -84.187
Base-Backbone interact. energy: -0.182
local terms energy: -125.976416
where:
bonds (distance) C4'-P energy: -31.910
bonds (distance) P-C4' energy: -28.447
flat angles C4'-P-C4' energy: -36.258
flat angles P-C4'-P energy: -18.166
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: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -201.322426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.322426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.322426 (E_RNA)
where:
Base-Base interactions energy: -120.219
where: short stacking energy: -70.996
Base-Backbone interact. energy: 2.780
local terms energy: -83.883547
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -561.266076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.266076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.266076 (E_RNA)
where:
Base-Base interactions energy: -377.992
where: short stacking energy: -179.899
Base-Backbone interact. energy: -0.085
local terms energy: -183.188933
where:
bonds (distance) C4'-P energy: -37.314
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -48.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -549.913596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.913596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.913596 (E_RNA)
where:
Base-Base interactions energy: -375.672
where: short stacking energy: -185.548
Base-Backbone interact. energy: -0.236
local terms energy: -174.005100
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -40.711
flat angles P-C4'-P energy: -25.483
tors. eta vs tors. theta energy: -49.437
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: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -542.318097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.318097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.318097 (E_RNA)
where:
Base-Base interactions energy: -353.915
where: short stacking energy: -183.254
Base-Backbone interact. energy: -0.250
local terms energy: -188.152637
where:
bonds (distance) C4'-P energy: -31.969
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -40.342
flat angles P-C4'-P energy: -28.348
tors. eta vs tors. theta energy: -49.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -488.342433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.342433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.342433 (E_RNA)
where:
Base-Base interactions energy: -338.833
where: short stacking energy: -146.923
Base-Backbone interact. energy: -1.185
local terms energy: -148.324281
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -34.446
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -31.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -465.761067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.761067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.761067 (E_RNA)
where:
Base-Base interactions energy: -315.269
where: short stacking energy: -156.060
Base-Backbone interact. energy: -0.476
local terms energy: -150.016234
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -32.578
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -38.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -376.329772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.329772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.329772 (E_RNA)
where:
Base-Base interactions energy: -240.227
where: short stacking energy: -123.960
Base-Backbone interact. energy: -0.089
local terms energy: -136.014010
where:
bonds (distance) C4'-P energy: -34.571
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -23.273
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: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -358.176213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.176213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.176213 (E_RNA)
where:
Base-Base interactions energy: -226.734
where: short stacking energy: -112.088
Base-Backbone interact. energy: -0.609
local terms energy: -130.832991
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -22.687
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -32.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -325.721423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.721423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.721423 (E_RNA)
where:
Base-Base interactions energy: -203.103
where: short stacking energy: -105.009
Base-Backbone interact. energy: 0.145
local terms energy: -122.762893
where:
bonds (distance) C4'-P energy: -30.670
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -26.813
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -22.310
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: 309
Temperature: 1.300000
Total energy: -239.265318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.265318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.265318 (E_RNA)
where:
Base-Base interactions energy: -132.432
where: short stacking energy: -84.358
Base-Backbone interact. energy: -0.124
local terms energy: -106.708761
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -35.971
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -8.595
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: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -228.486987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.486987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.486987 (E_RNA)
where:
Base-Base interactions energy: -106.370
where: short stacking energy: -62.941
Base-Backbone interact. energy: -0.189
local terms energy: -121.927473
where:
bonds (distance) C4'-P energy: -31.789
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -31.574
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -559.141812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.141812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.141812 (E_RNA)
where:
Base-Base interactions energy: -384.770
where: short stacking energy: -171.223
Base-Backbone interact. energy: -0.556
local terms energy: -173.816443
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -39.066
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -48.806
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: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -526.009864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.009864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.009864 (E_RNA)
where:
Base-Base interactions energy: -342.291
where: short stacking energy: -168.047
Base-Backbone interact. energy: 0.214
local terms energy: -183.933373
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -35.585
flat angles C4'-P-C4' energy: -38.119
flat angles P-C4'-P energy: -31.204
tors. eta vs tors. theta energy: -45.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -534.430419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.430419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.430419 (E_RNA)
where:
Base-Base interactions energy: -371.273
where: short stacking energy: -181.122
Base-Backbone interact. energy: -2.020
local terms energy: -161.137530
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -37.177
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -46.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -488.746187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.746187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.746187 (E_RNA)
where:
Base-Base interactions energy: -328.510
where: short stacking energy: -154.023
Base-Backbone interact. energy: -0.408
local terms energy: -159.828828
where:
bonds (distance) C4'-P energy: -27.692
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -37.707
flat angles P-C4'-P energy: -21.869
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: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -379.580370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.580370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.580370 (E_RNA)
where:
Base-Base interactions energy: -229.578
where: short stacking energy: -118.917
Base-Backbone interact. energy: -0.855
local terms energy: -149.148060
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -37.292
flat angles C4'-P-C4' energy: -31.874
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -28.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -427.884917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.884917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.884917 (E_RNA)
where:
Base-Base interactions energy: -272.958
where: short stacking energy: -144.008
Base-Backbone interact. energy: -0.275
local terms energy: -154.652541
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -36.427
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -23.729
tors. eta vs tors. theta energy: -34.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -354.843522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.843522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.843522 (E_RNA)
where:
Base-Base interactions energy: -220.098
where: short stacking energy: -116.028
Base-Backbone interact. energy: -0.192
local terms energy: -134.554332
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -30.113
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -310.240786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.240786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.240786 (E_RNA)
where:
Base-Base interactions energy: -178.461
where: short stacking energy: -91.100
Base-Backbone interact. energy: 0.459
local terms energy: -132.239220
where:
bonds (distance) C4'-P energy: -35.386
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -32.020
flat angles P-C4'-P energy: -14.410
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: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -243.639774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.639774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.639774 (E_RNA)
where:
Base-Base interactions energy: -125.578
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.490
local terms energy: -117.572176
where:
bonds (distance) C4'-P energy: -36.414
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -34.046
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -8.942
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: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -183.004208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.004208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.004208 (E_RNA)
where:
Base-Base interactions energy: -78.248
where: short stacking energy: -45.052
Base-Backbone interact. energy: 0.014
local terms energy: -104.771133
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -26.402
flat angles P-C4'-P energy: -25.351
tors. eta vs tors. theta energy: 2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -566.026748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.026748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.026748 (E_RNA)
where:
Base-Base interactions energy: -381.482
where: short stacking energy: -178.285
Base-Backbone interact. energy: -0.180
local terms energy: -184.364094
where:
bonds (distance) C4'-P energy: -34.165
bonds (distance) P-C4' energy: -40.492
flat angles C4'-P-C4' energy: -35.992
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -48.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -541.345814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.345814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.345814 (E_RNA)
where:
Base-Base interactions energy: -362.860
where: short stacking energy: -170.695
Base-Backbone interact. energy: -0.389
local terms energy: -178.096640
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -33.533
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -51.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -512.181054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.181054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.181054 (E_RNA)
where:
Base-Base interactions energy: -333.991
where: short stacking energy: -164.078
Base-Backbone interact. energy: -0.613
local terms energy: -177.577467
where:
bonds (distance) C4'-P energy: -32.079
bonds (distance) P-C4' energy: -32.706
flat angles C4'-P-C4' energy: -41.107
flat angles P-C4'-P energy: -29.882
tors. eta vs tors. theta energy: -41.802
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: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -478.956965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.956965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.956965 (E_RNA)
where:
Base-Base interactions energy: -319.926
where: short stacking energy: -139.577
Base-Backbone interact. energy: 0.708
local terms energy: -159.739309
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -36.800
flat angles C4'-P-C4' energy: -37.920
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -28.296
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: 311
Temperature: 1.100000
Total energy: -389.224192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.224192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.224192 (E_RNA)
where:
Base-Base interactions energy: -248.542
where: short stacking energy: -119.084
Base-Backbone interact. energy: -2.060
local terms energy: -138.621825
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -36.108
flat angles C4'-P-C4' energy: -32.728
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -26.677
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: 311
Temperature: 1.150000
Total energy: -419.531286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.531286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.531286 (E_RNA)
where:
Base-Base interactions energy: -256.732
where: short stacking energy: -114.838
Base-Backbone interact. energy: 0.791
local terms energy: -163.590144
where:
bonds (distance) C4'-P energy: -36.531
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -30.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -343.474381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.474381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.474381 (E_RNA)
where:
Base-Base interactions energy: -202.535
where: short stacking energy: -100.557
Base-Backbone interact. energy: 0.061
local terms energy: -140.999833
where:
bonds (distance) C4'-P energy: -36.262
bonds (distance) P-C4' energy: -39.238
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -265.298678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.298678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.298678 (E_RNA)
where:
Base-Base interactions energy: -127.754
where: short stacking energy: -86.426
Base-Backbone interact. energy: -0.570
local terms energy: -136.974989
where:
bonds (distance) C4'-P energy: -34.356
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -313.259217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.259217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.259217 (E_RNA)
where:
Base-Base interactions energy: -189.945
where: short stacking energy: -100.335
Base-Backbone interact. energy: -1.032
local terms energy: -122.282025
where:
bonds (distance) C4'-P energy: -29.292
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -161.226663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.226663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.226663 (E_RNA)
where:
Base-Base interactions energy: -55.706
where: short stacking energy: -54.308
Base-Backbone interact. energy: 0.599
local terms energy: -106.119333
where:
bonds (distance) C4'-P energy: -35.930
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -562.060650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.060650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.060650 (E_RNA)
where:
Base-Base interactions energy: -376.447
where: short stacking energy: -182.411
Base-Backbone interact. energy: -1.131
local terms energy: -184.481806
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -39.830
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: -48.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -544.137947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.137947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.137947 (E_RNA)
where:
Base-Base interactions energy: -370.675
where: short stacking energy: -182.745
Base-Backbone interact. energy: -0.420
local terms energy: -173.043031
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -36.414
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -49.340
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: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -514.729010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.729010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.729010 (E_RNA)
where:
Base-Base interactions energy: -338.151
where: short stacking energy: -164.193
Base-Backbone interact. energy: 0.344
local terms energy: -176.921768
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -38.266
flat angles P-C4'-P energy: -26.017
tors. eta vs tors. theta energy: -46.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -496.428734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.428734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.428734 (E_RNA)
where:
Base-Base interactions energy: -345.622
where: short stacking energy: -152.233
Base-Backbone interact. energy: -0.738
local terms energy: -150.069056
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -26.546
flat angles C4'-P-C4' energy: -39.600
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -42.898
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: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -428.051339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.051339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.051339 (E_RNA)
where:
Base-Base interactions energy: -270.281
where: short stacking energy: -143.353
Base-Backbone interact. energy: -0.006
local terms energy: -157.764588
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -33.057
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -24.385
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: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -346.424802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.424802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.424802 (E_RNA)
where:
Base-Base interactions energy: -222.687
where: short stacking energy: -108.463
Base-Backbone interact. energy: -0.343
local terms energy: -123.394260
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -37.893
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -19.103
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: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -317.763315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.763315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.763315 (E_RNA)
where:
Base-Base interactions energy: -181.055
where: short stacking energy: -92.821
Base-Backbone interact. energy: 0.213
local terms energy: -136.921506
where:
bonds (distance) C4'-P energy: -35.317
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -34.017
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -13.290
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: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -248.525275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.525275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.525275 (E_RNA)
where:
Base-Base interactions energy: -120.273
where: short stacking energy: -72.557
Base-Backbone interact. energy: -0.762
local terms energy: -127.490645
where:
bonds (distance) C4'-P energy: -30.436
bonds (distance) P-C4' energy: -36.187
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -305.030377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.030377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.030377 (E_RNA)
where:
Base-Base interactions energy: -173.509
where: short stacking energy: -83.315
Base-Backbone interact. energy: -0.286
local terms energy: -131.235777
where:
bonds (distance) C4'-P energy: -30.051
bonds (distance) P-C4' energy: -35.445
flat angles C4'-P-C4' energy: -31.780
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -172.305583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.305583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.305583 (E_RNA)
where:
Base-Base interactions energy: -75.943
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.215
local terms energy: -96.147814
where:
bonds (distance) C4'-P energy: -22.573
bonds (distance) P-C4' energy: -25.075
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -561.711410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.711410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.711410 (E_RNA)
where:
Base-Base interactions energy: -379.054
where: short stacking energy: -169.988
Base-Backbone interact. energy: -0.922
local terms energy: -181.734579
where:
bonds (distance) C4'-P energy: -38.499
bonds (distance) P-C4' energy: -31.738
flat angles C4'-P-C4' energy: -35.585
flat angles P-C4'-P energy: -31.624
tors. eta vs tors. theta energy: -44.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -537.928777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.928777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.928777 (E_RNA)
where:
Base-Base interactions energy: -354.306
where: short stacking energy: -161.880
Base-Backbone interact. energy: -0.343
local terms energy: -183.280101
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: -47.967
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: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -496.369298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.369298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.369298 (E_RNA)
where:
Base-Base interactions energy: -332.746
where: short stacking energy: -150.661
Base-Backbone interact. energy: -0.580
local terms energy: -163.042626
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -44.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -501.435977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.435977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.435977 (E_RNA)
where:
Base-Base interactions energy: -341.561
where: short stacking energy: -162.213
Base-Backbone interact. energy: -0.826
local terms energy: -159.049352
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -41.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -454.385816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.385816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.385816 (E_RNA)
where:
Base-Base interactions energy: -297.248
where: short stacking energy: -152.188
Base-Backbone interact. energy: -1.201
local terms energy: -155.937084
where:
bonds (distance) C4'-P energy: -28.869
bonds (distance) P-C4' energy: -36.944
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -38.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -349.786504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.786504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.786504 (E_RNA)
where:
Base-Base interactions energy: -201.564
where: short stacking energy: -103.893
Base-Backbone interact. energy: 0.323
local terms energy: -148.544532
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -34.395
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -23.295
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: 313
Temperature: 1.200000
Total energy: -310.452879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.452879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.452879 (E_RNA)
where:
Base-Base interactions energy: -186.484
where: short stacking energy: -81.380
Base-Backbone interact. energy: -0.370
local terms energy: -123.599073
where:
bonds (distance) C4'-P energy: -24.520
bonds (distance) P-C4' energy: -35.146
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -332.824309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.824309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.824309 (E_RNA)
where:
Base-Base interactions energy: -212.188
where: short stacking energy: -95.907
Base-Backbone interact. energy: -0.207
local terms energy: -120.429537
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -15.501
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: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -227.372178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.372178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.372178 (E_RNA)
where:
Base-Base interactions energy: -114.305
where: short stacking energy: -67.664
Base-Backbone interact. energy: -0.729
local terms energy: -112.337670
where:
bonds (distance) C4'-P energy: -27.866
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -31.329
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -161.295764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.295764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.295764 (E_RNA)
where:
Base-Base interactions energy: -64.383
where: short stacking energy: -54.534
Base-Backbone interact. energy: 1.406
local terms energy: -98.319144
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -31.927
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -3.948
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: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -570.952991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.952991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.952991 (E_RNA)
where:
Base-Base interactions energy: -383.017
where: short stacking energy: -177.634
Base-Backbone interact. energy: -0.729
local terms energy: -187.207064
where:
bonds (distance) C4'-P energy: -35.276
bonds (distance) P-C4' energy: -32.929
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -31.949
tors. eta vs tors. theta energy: -48.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -539.390708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.390708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.390708 (E_RNA)
where:
Base-Base interactions energy: -360.727
where: short stacking energy: -172.704
Base-Backbone interact. energy: -0.615
local terms energy: -178.049167
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -37.160
flat angles C4'-P-C4' energy: -38.768
flat angles P-C4'-P energy: -27.055
tors. eta vs tors. theta energy: -49.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -525.280370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.280370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.280370 (E_RNA)
where:
Base-Base interactions energy: -351.158
where: short stacking energy: -170.843
Base-Backbone interact. energy: 1.359
local terms energy: -175.481755
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -33.462
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -46.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -496.681014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.681014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.681014 (E_RNA)
where:
Base-Base interactions energy: -329.295
where: short stacking energy: -157.148
Base-Backbone interact. energy: -0.296
local terms energy: -167.089968
where:
bonds (distance) C4'-P energy: -30.935
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -42.238
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: -41.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -463.749126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.749126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.749126 (E_RNA)
where:
Base-Base interactions energy: -293.873
where: short stacking energy: -151.379
Base-Backbone interact. energy: 1.323
local terms energy: -171.199703
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -35.945
flat angles C4'-P-C4' energy: -38.787
flat angles P-C4'-P energy: -26.138
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: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -356.466551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.466551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.466551 (E_RNA)
where:
Base-Base interactions energy: -227.058
where: short stacking energy: -109.698
Base-Backbone interact. energy: 1.568
local terms energy: -130.976587
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -38.140
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -17.813
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: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -306.223802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.223802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.223802 (E_RNA)
where:
Base-Base interactions energy: -192.496
where: short stacking energy: -96.308
Base-Backbone interact. energy: 0.718
local terms energy: -114.445968
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -34.157
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -19.177
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: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -326.484609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.484609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.484609 (E_RNA)
where:
Base-Base interactions energy: -206.071
where: short stacking energy: -81.924
Base-Backbone interact. energy: -0.506
local terms energy: -119.907667
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -28.483
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -248.457916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.457916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.457916 (E_RNA)
where:
Base-Base interactions energy: -124.647
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.435
local terms energy: -123.375908
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -8.870
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: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -160.497675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.497675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.497675 (E_RNA)
where:
Base-Base interactions energy: -58.826
where: short stacking energy: -50.476
Base-Backbone interact. energy: -0.922
local terms energy: -100.750564
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -31.055
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: 1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -580.814891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.814891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.814891 (E_RNA)
where:
Base-Base interactions energy: -395.891
where: short stacking energy: -186.875
Base-Backbone interact. energy: -0.155
local terms energy: -184.769245
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -36.156
flat angles C4'-P-C4' energy: -37.803
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -53.805
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: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -546.231895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.231895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.231895 (E_RNA)
where:
Base-Base interactions energy: -372.020
where: short stacking energy: -185.219
Base-Backbone interact. energy: -0.730
local terms energy: -173.481788
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -48.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -501.947653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.947653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.947653 (E_RNA)
where:
Base-Base interactions energy: -333.411
where: short stacking energy: -154.426
Base-Backbone interact. energy: -0.716
local terms energy: -167.821086
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -30.026
flat angles C4'-P-C4' energy: -37.236
flat angles P-C4'-P energy: -24.064
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: 4, replica: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -493.296365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.296365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.296365 (E_RNA)
where:
Base-Base interactions energy: -331.364
where: short stacking energy: -156.952
Base-Backbone interact. energy: -0.659
local terms energy: -161.273418
where:
bonds (distance) C4'-P energy: -27.469
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -34.671
flat angles P-C4'-P energy: -26.905
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: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -457.572933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.572933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.572933 (E_RNA)
where:
Base-Base interactions energy: -295.875
where: short stacking energy: -155.309
Base-Backbone interact. energy: -0.306
local terms energy: -161.391494
where:
bonds (distance) C4'-P energy: -31.486
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -34.546
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -43.998
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: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -347.424370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.424370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.424370 (E_RNA)
where:
Base-Base interactions energy: -215.950
where: short stacking energy: -98.107
Base-Backbone interact. energy: 1.567
local terms energy: -133.041700
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -334.783692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.783692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.783692 (E_RNA)
where:
Base-Base interactions energy: -207.102
where: short stacking energy: -88.428
Base-Backbone interact. energy: -0.062
local terms energy: -127.619026
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -35.372
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -21.379
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -314.189037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.189037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.189037 (E_RNA)
where:
Base-Base interactions energy: -192.138
where: short stacking energy: -103.326
Base-Backbone interact. energy: -0.155
local terms energy: -121.896668
where:
bonds (distance) C4'-P energy: -31.943
bonds (distance) P-C4' energy: -29.928
flat angles C4'-P-C4' energy: -32.020
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -222.940109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.940109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.940109 (E_RNA)
where:
Base-Base interactions energy: -118.272
where: short stacking energy: -76.520
Base-Backbone interact. energy: 0.795
local terms energy: -105.462331
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -1.404
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: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -155.403259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.403259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.403259 (E_RNA)
where:
Base-Base interactions energy: -48.103
where: short stacking energy: -48.103
Base-Backbone interact. energy: -0.289
local terms energy: -107.011064
where:
bonds (distance) C4'-P energy: -24.736
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -571.592433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.592433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.592433 (E_RNA)
where:
Base-Base interactions energy: -390.251
where: short stacking energy: -185.347
Base-Backbone interact. energy: -0.122
local terms energy: -181.218772
where:
bonds (distance) C4'-P energy: -33.321
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -36.031
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -49.391
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: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -559.078501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.078501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.078501 (E_RNA)
where:
Base-Base interactions energy: -375.095
where: short stacking energy: -186.640
Base-Backbone interact. energy: -2.446
local terms energy: -181.537736
where:
bonds (distance) C4'-P energy: -34.915
bonds (distance) P-C4' energy: -27.111
flat angles C4'-P-C4' energy: -41.223
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -53.082
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: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -507.834194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.834194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.834194 (E_RNA)
where:
Base-Base interactions energy: -335.519
where: short stacking energy: -163.501
Base-Backbone interact. energy: 3.546
local terms energy: -175.861316
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -38.565
flat angles P-C4'-P energy: -31.077
tors. eta vs tors. theta energy: -46.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -489.368143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.368143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.368143 (E_RNA)
where:
Base-Base interactions energy: -327.031
where: short stacking energy: -143.066
Base-Backbone interact. energy: -0.954
local terms energy: -161.383018
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -35.643
flat angles P-C4'-P energy: -18.984
tors. eta vs tors. theta energy: -38.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -485.206519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.206519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.206519 (E_RNA)
where:
Base-Base interactions energy: -311.705
where: short stacking energy: -161.545
Base-Backbone interact. energy: 0.406
local terms energy: -173.907579
where:
bonds (distance) C4'-P energy: -39.849
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -29.290
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -44.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -362.009697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.009697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.009697 (E_RNA)
where:
Base-Base interactions energy: -214.142
where: short stacking energy: -112.152
Base-Backbone interact. energy: -0.156
local terms energy: -147.711568
where:
bonds (distance) C4'-P energy: -38.087
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -36.431
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -23.064
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: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -308.756924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.756924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.756924 (E_RNA)
where:
Base-Base interactions energy: -171.365
where: short stacking energy: -95.453
Base-Backbone interact. energy: -0.376
local terms energy: -137.015471
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -320.458559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.458559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.458559 (E_RNA)
where:
Base-Base interactions energy: -199.428
where: short stacking energy: -93.144
Base-Backbone interact. energy: -0.730
local terms energy: -120.300900
where:
bonds (distance) C4'-P energy: -23.903
bonds (distance) P-C4' energy: -40.189
flat angles C4'-P-C4' energy: -30.104
flat angles P-C4'-P energy: -15.801
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: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -261.608611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.608611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.608611 (E_RNA)
where:
Base-Base interactions energy: -145.422
where: short stacking energy: -80.540
Base-Backbone interact. energy: 0.479
local terms energy: -116.665381
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -10.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -173.085469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.085469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.085469 (E_RNA)
where:
Base-Base interactions energy: -68.694
where: short stacking energy: -66.526
Base-Backbone interact. energy: 0.580
local terms energy: -104.971614
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -25.115
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -566.593178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.593178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.593178 (E_RNA)
where:
Base-Base interactions energy: -368.794
where: short stacking energy: -167.194
Base-Backbone interact. energy: -0.430
local terms energy: -197.369272
where:
bonds (distance) C4'-P energy: -38.326
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -41.582
flat angles P-C4'-P energy: -28.816
tors. eta vs tors. theta energy: -52.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -543.502300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.502300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.502300 (E_RNA)
where:
Base-Base interactions energy: -358.929
where: short stacking energy: -166.172
Base-Backbone interact. energy: 0.679
local terms energy: -185.252040
where:
bonds (distance) C4'-P energy: -35.041
bonds (distance) P-C4' energy: -33.878
flat angles C4'-P-C4' energy: -42.906
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -47.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -501.443413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.443413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.443413 (E_RNA)
where:
Base-Base interactions energy: -327.311
where: short stacking energy: -157.192
Base-Backbone interact. energy: -0.550
local terms energy: -173.582418
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -37.015
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -39.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -511.145191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.145191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.145191 (E_RNA)
where:
Base-Base interactions energy: -336.177
where: short stacking energy: -166.634
Base-Backbone interact. energy: -0.132
local terms energy: -174.835839
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -35.723
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -47.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -473.918458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.918458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.918458 (E_RNA)
where:
Base-Base interactions energy: -314.207
where: short stacking energy: -137.288
Base-Backbone interact. energy: -0.863
local terms energy: -158.848472
where:
bonds (distance) C4'-P energy: -34.859
bonds (distance) P-C4' energy: -33.906
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -19.523
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: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -373.677051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.677051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.677051 (E_RNA)
where:
Base-Base interactions energy: -213.641
where: short stacking energy: -110.951
Base-Backbone interact. energy: 0.483
local terms energy: -160.518962
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -36.878
flat angles P-C4'-P energy: -28.286
tors. eta vs tors. theta energy: -27.984
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: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -341.711236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.711236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.711236 (E_RNA)
where:
Base-Base interactions energy: -217.211
where: short stacking energy: -99.902
Base-Backbone interact. energy: -2.072
local terms energy: -122.427899
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -313.300715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.300715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.300715 (E_RNA)
where:
Base-Base interactions energy: -196.052
where: short stacking energy: -96.981
Base-Backbone interact. energy: -0.651
local terms energy: -116.597637
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -271.132834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.132834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.132834 (E_RNA)
where:
Base-Base interactions energy: -153.091
where: short stacking energy: -88.389
Base-Backbone interact. energy: -0.300
local terms energy: -117.741388
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -183.406132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.406132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.406132 (E_RNA)
where:
Base-Base interactions energy: -87.323
where: short stacking energy: -46.997
Base-Backbone interact. energy: -0.182
local terms energy: -95.900666
where:
bonds (distance) C4'-P energy: -32.152
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -588.588364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.588364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.588364 (E_RNA)
where:
Base-Base interactions energy: -395.078
where: short stacking energy: -192.491
Base-Backbone interact. energy: -0.156
local terms energy: -193.355213
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -34.504
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -31.911
tors. eta vs tors. theta energy: -52.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -540.264114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.264114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.264114 (E_RNA)
where:
Base-Base interactions energy: -349.816
where: short stacking energy: -176.035
Base-Backbone interact. energy: -1.093
local terms energy: -189.355717
where:
bonds (distance) C4'-P energy: -37.142
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -50.100
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: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -490.299467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.299467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.299467 (E_RNA)
where:
Base-Base interactions energy: -328.959
where: short stacking energy: -147.119
Base-Backbone interact. energy: -0.457
local terms energy: -160.882879
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -35.945
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -41.413
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: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -517.336849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.336849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.336849 (E_RNA)
where:
Base-Base interactions energy: -335.020
where: short stacking energy: -161.039
Base-Backbone interact. energy: -0.055
local terms energy: -182.261689
where:
bonds (distance) C4'-P energy: -37.076
bonds (distance) P-C4' energy: -36.713
flat angles C4'-P-C4' energy: -36.309
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -44.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -492.118856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.118856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.118856 (E_RNA)
where:
Base-Base interactions energy: -323.308
where: short stacking energy: -146.523
Base-Backbone interact. energy: -0.670
local terms energy: -168.140478
where:
bonds (distance) C4'-P energy: -33.440
bonds (distance) P-C4' energy: -32.170
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -26.607
tors. eta vs tors. theta energy: -37.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -402.716346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.716346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.716346 (E_RNA)
where:
Base-Base interactions energy: -260.134
where: short stacking energy: -110.380
Base-Backbone interact. energy: 0.236
local terms energy: -142.818540
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -28.594
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -30.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -344.417032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.417032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.417032 (E_RNA)
where:
Base-Base interactions energy: -214.473
where: short stacking energy: -106.193
Base-Backbone interact. energy: 1.137
local terms energy: -131.080457
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -35.544
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -17.897
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: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -327.130529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.130529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.130529 (E_RNA)
where:
Base-Base interactions energy: -198.396
where: short stacking energy: -106.477
Base-Backbone interact. energy: 0.665
local terms energy: -129.399233
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -28.013
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -23.078
tors. eta vs tors. theta energy: -24.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -219.909674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.909674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.909674 (E_RNA)
where:
Base-Base interactions energy: -110.144
where: short stacking energy: -60.930
Base-Backbone interact. energy: 0.684
local terms energy: -110.449508
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -35.792
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: 2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -234.219969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.219969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.219969 (E_RNA)
where:
Base-Base interactions energy: -115.527
where: short stacking energy: -65.660
Base-Backbone interact. energy: -1.518
local terms energy: -117.175147
where:
bonds (distance) C4'-P energy: -27.204
bonds (distance) P-C4' energy: -36.713
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -578.027809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.027809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.027809 (E_RNA)
where:
Base-Base interactions energy: -393.959
where: short stacking energy: -182.953
Base-Backbone interact. energy: -0.117
local terms energy: -183.952111
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -51.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -535.356939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.356939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.356939 (E_RNA)
where:
Base-Base interactions energy: -361.681
where: short stacking energy: -176.821
Base-Backbone interact. energy: -0.139
local terms energy: -173.536275
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -36.275
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -52.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -507.997484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.997484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.997484 (E_RNA)
where:
Base-Base interactions energy: -338.236
where: short stacking energy: -158.168
Base-Backbone interact. energy: -0.109
local terms energy: -169.653081
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -46.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -502.071667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.071667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.071667 (E_RNA)
where:
Base-Base interactions energy: -341.149
where: short stacking energy: -153.490
Base-Backbone interact. energy: -0.091
local terms energy: -160.832331
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -24.659
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -27.888
tors. eta vs tors. theta energy: -40.435
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: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -499.931695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.931695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.931695 (E_RNA)
where:
Base-Base interactions energy: -339.433
where: short stacking energy: -158.126
Base-Backbone interact. energy: -0.203
local terms energy: -160.295815
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -35.062
flat angles C4'-P-C4' energy: -36.625
flat angles P-C4'-P energy: -23.597
tors. eta vs tors. theta energy: -39.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -428.467956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.467956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.467956 (E_RNA)
where:
Base-Base interactions energy: -281.377
where: short stacking energy: -132.263
Base-Backbone interact. energy: 0.997
local terms energy: -148.088465
where:
bonds (distance) C4'-P energy: -33.173
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -33.366
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: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -370.674459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.674459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.674459 (E_RNA)
where:
Base-Base interactions energy: -224.096
where: short stacking energy: -106.563
Base-Backbone interact. energy: -0.904
local terms energy: -145.674138
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -27.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -335.234821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.234821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.234821 (E_RNA)
where:
Base-Base interactions energy: -214.373
where: short stacking energy: -107.981
Base-Backbone interact. energy: -1.354
local terms energy: -119.507505
where:
bonds (distance) C4'-P energy: -31.093
bonds (distance) P-C4' energy: -29.330
flat angles C4'-P-C4' energy: -25.376
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -18.747
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: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -252.598005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.598005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.598005 (E_RNA)
where:
Base-Base interactions energy: -144.517
where: short stacking energy: -80.908
Base-Backbone interact. energy: 0.535
local terms energy: -108.616584
where:
bonds (distance) C4'-P energy: -26.401
bonds (distance) P-C4' energy: -27.474
flat angles C4'-P-C4' energy: -23.856
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -225.087576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.087576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.087576 (E_RNA)
where:
Base-Base interactions energy: -112.237
where: short stacking energy: -72.255
Base-Backbone interact. energy: -0.371
local terms energy: -112.479207
where:
bonds (distance) C4'-P energy: -25.881
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -31.770
flat angles P-C4'-P energy: -12.292
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: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -581.163876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.163876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.163876 (E_RNA)
where:
Base-Base interactions energy: -384.964
where: short stacking energy: -181.013
Base-Backbone interact. energy: -0.828
local terms energy: -195.372438
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -40.641
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: -55.490
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: 320
Temperature: 0.950000
Total energy: -559.750684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.750684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.750684 (E_RNA)
where:
Base-Base interactions energy: -376.913
where: short stacking energy: -178.320
Base-Backbone interact. energy: 0.597
local terms energy: -183.435059
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -53.204
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: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -523.236945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.236945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.236945 (E_RNA)
where:
Base-Base interactions energy: -350.941
where: short stacking energy: -169.289
Base-Backbone interact. energy: -0.084
local terms energy: -172.211709
where:
bonds (distance) C4'-P energy: -36.662
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -37.800
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -46.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -507.402562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.402562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.402562 (E_RNA)
where:
Base-Base interactions energy: -325.424
where: short stacking energy: -162.568
Base-Backbone interact. energy: -0.338
local terms energy: -181.640804
where:
bonds (distance) C4'-P energy: -33.640
bonds (distance) P-C4' energy: -34.616
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -47.811
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: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -451.814349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.814349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.814349 (E_RNA)
where:
Base-Base interactions energy: -290.793
where: short stacking energy: -139.138
Base-Backbone interact. energy: -0.268
local terms energy: -160.752647
where:
bonds (distance) C4'-P energy: -31.146
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -35.161
flat angles P-C4'-P energy: -22.018
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: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -471.345733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.345733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.345733 (E_RNA)
where:
Base-Base interactions energy: -318.911
where: short stacking energy: -139.215
Base-Backbone interact. energy: -1.709
local terms energy: -150.725360
where:
bonds (distance) C4'-P energy: -31.991
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -33.433
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -34.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -383.529741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.529741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.529741 (E_RNA)
where:
Base-Base interactions energy: -241.320
where: short stacking energy: -114.581
Base-Backbone interact. energy: -0.535
local terms energy: -141.675146
where:
bonds (distance) C4'-P energy: -33.001
bonds (distance) P-C4' energy: -34.640
flat angles C4'-P-C4' energy: -30.284
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -24.264
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: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -330.386841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.386841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.386841 (E_RNA)
where:
Base-Base interactions energy: -212.020
where: short stacking energy: -94.490
Base-Backbone interact. energy: -1.116
local terms energy: -117.250882
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -245.450241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.450241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.450241 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -83.122
Base-Backbone interact. energy: -0.501
local terms energy: -107.502146
where:
bonds (distance) C4'-P energy: -30.033
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -17.412
tors. eta vs tors. theta energy: -4.994
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: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -208.497193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.497193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.497193 (E_RNA)
where:
Base-Base interactions energy: -105.298
where: short stacking energy: -67.302
Base-Backbone interact. energy: 1.425
local terms energy: -104.623936
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -571.366607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.366607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.366607 (E_RNA)
where:
Base-Base interactions energy: -381.553
where: short stacking energy: -179.949
Base-Backbone interact. energy: -0.346
local terms energy: -189.467571
where:
bonds (distance) C4'-P energy: -33.715
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -27.702
tors. eta vs tors. theta energy: -53.469
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: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -521.206766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.206766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.206766 (E_RNA)
where:
Base-Base interactions energy: -353.203
where: short stacking energy: -171.567
Base-Backbone interact. energy: -0.201
local terms energy: -167.802848
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -34.819
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -42.204
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: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -554.795716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.795716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.795716 (E_RNA)
where:
Base-Base interactions energy: -371.764
where: short stacking energy: -192.899
Base-Backbone interact. energy: 0.409
local terms energy: -183.441136
where:
bonds (distance) C4'-P energy: -34.143
bonds (distance) P-C4' energy: -29.272
flat angles C4'-P-C4' energy: -39.868
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -52.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -489.383362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.383362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.383362 (E_RNA)
where:
Base-Base interactions energy: -319.913
where: short stacking energy: -153.710
Base-Backbone interact. energy: 0.593
local terms energy: -170.063163
where:
bonds (distance) C4'-P energy: -28.139
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -45.232
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: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -430.571261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.571261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.571261 (E_RNA)
where:
Base-Base interactions energy: -293.677
where: short stacking energy: -137.291
Base-Backbone interact. energy: 0.115
local terms energy: -137.009475
where:
bonds (distance) C4'-P energy: -30.145
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -32.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -458.558577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.558577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.558577 (E_RNA)
where:
Base-Base interactions energy: -317.949
where: short stacking energy: -131.615
Base-Backbone interact. energy: -0.685
local terms energy: -139.924706
where:
bonds (distance) C4'-P energy: -31.612
bonds (distance) P-C4' energy: -33.260
flat angles C4'-P-C4' energy: -29.442
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -27.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -362.704133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.704133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.704133 (E_RNA)
where:
Base-Base interactions energy: -226.270
where: short stacking energy: -114.764
Base-Backbone interact. energy: -0.358
local terms energy: -136.075830
where:
bonds (distance) C4'-P energy: -33.186
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -37.023
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -25.189
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: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -346.773520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.773520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.773520 (E_RNA)
where:
Base-Base interactions energy: -206.096
where: short stacking energy: -91.221
Base-Backbone interact. energy: 0.177
local terms energy: -140.855384
where:
bonds (distance) C4'-P energy: -29.707
bonds (distance) P-C4' energy: -34.042
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -230.170461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.170461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.170461 (E_RNA)
where:
Base-Base interactions energy: -116.670
where: short stacking energy: -65.170
Base-Backbone interact. energy: -1.015
local terms energy: -112.485218
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -41.380
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -209.892190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.892190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.892190 (E_RNA)
where:
Base-Base interactions energy: -97.379
where: short stacking energy: -44.473
Base-Backbone interact. energy: -0.354
local terms energy: -112.159498
where:
bonds (distance) C4'-P energy: -33.605
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -573.756573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.756573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.756573 (E_RNA)
where:
Base-Base interactions energy: -390.429
where: short stacking energy: -186.275
Base-Backbone interact. energy: 0.776
local terms energy: -184.103722
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -41.319
flat angles P-C4'-P energy: -25.324
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: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -526.858433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.858433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.858433 (E_RNA)
where:
Base-Base interactions energy: -346.724
where: short stacking energy: -180.423
Base-Backbone interact. energy: -0.635
local terms energy: -179.499528
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -35.839
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -52.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -535.754578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.754578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.754578 (E_RNA)
where:
Base-Base interactions energy: -357.315
where: short stacking energy: -167.022
Base-Backbone interact. energy: -0.451
local terms energy: -177.988363
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -26.959
tors. eta vs tors. theta energy: -46.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -466.247794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.247794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.247794 (E_RNA)
where:
Base-Base interactions energy: -312.736
where: short stacking energy: -157.349
Base-Backbone interact. energy: -0.442
local terms energy: -153.069903
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -39.879
flat angles P-C4'-P energy: -24.201
tors. eta vs tors. theta energy: -37.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -439.488343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.488343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.488343 (E_RNA)
where:
Base-Base interactions energy: -291.019
where: short stacking energy: -133.827
Base-Backbone interact. energy: -0.443
local terms energy: -148.026894
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -31.884
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -33.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -392.856935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.856935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.856935 (E_RNA)
where:
Base-Base interactions energy: -257.776
where: short stacking energy: -129.349
Base-Backbone interact. energy: -0.078
local terms energy: -135.002107
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -35.665
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -334.588002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.588002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.588002 (E_RNA)
where:
Base-Base interactions energy: -196.923
where: short stacking energy: -102.622
Base-Backbone interact. energy: -0.365
local terms energy: -137.300620
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -36.759
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -17.534
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: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -329.694694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.694694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.694694 (E_RNA)
where:
Base-Base interactions energy: -216.395
where: short stacking energy: -113.793
Base-Backbone interact. energy: -0.695
local terms energy: -112.605286
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -234.893445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.893445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.893445 (E_RNA)
where:
Base-Base interactions energy: -114.027
where: short stacking energy: -73.510
Base-Backbone interact. energy: 1.628
local terms energy: -122.495110
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -173.194907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.194907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.194907 (E_RNA)
where:
Base-Base interactions energy: -63.273
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.370
local terms energy: -109.552441
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -29.691
flat angles C4'-P-C4' energy: -25.690
flat angles P-C4'-P energy: -18.699
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: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -576.404393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.404393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.404393 (E_RNA)
where:
Base-Base interactions energy: -391.909
where: short stacking energy: -187.571
Base-Backbone interact. energy: -0.666
local terms energy: -183.829852
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -40.072
flat angles C4'-P-C4' energy: -35.893
flat angles P-C4'-P energy: -27.900
tors. eta vs tors. theta energy: -54.199
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: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -522.079165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.079165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.079165 (E_RNA)
where:
Base-Base interactions energy: -345.301
where: short stacking energy: -162.535
Base-Backbone interact. energy: -0.980
local terms energy: -175.797863
where:
bonds (distance) C4'-P energy: -34.421
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -36.933
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -44.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -522.656514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.656514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.656514 (E_RNA)
where:
Base-Base interactions energy: -340.189
where: short stacking energy: -169.300
Base-Backbone interact. energy: -0.120
local terms energy: -182.347746
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -31.670
flat angles C4'-P-C4' energy: -37.354
flat angles P-C4'-P energy: -25.669
tors. eta vs tors. theta energy: -51.048
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: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -488.532668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.532668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.532668 (E_RNA)
where:
Base-Base interactions energy: -336.805
where: short stacking energy: -145.707
Base-Backbone interact. energy: -0.429
local terms energy: -151.298910
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -35.961
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: 323
Temperature: 1.100000
Total energy: -470.421243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.421243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.421243 (E_RNA)
where:
Base-Base interactions energy: -313.569
where: short stacking energy: -141.173
Base-Backbone interact. energy: -0.554
local terms energy: -156.298978
where:
bonds (distance) C4'-P energy: -25.797
bonds (distance) P-C4' energy: -26.844
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: -44.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -335.644004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.644004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.644004 (E_RNA)
where:
Base-Base interactions energy: -203.112
where: short stacking energy: -115.938
Base-Backbone interact. energy: -0.231
local terms energy: -132.301600
where:
bonds (distance) C4'-P energy: -34.849
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -20.191
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: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -357.145213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.145213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.145213 (E_RNA)
where:
Base-Base interactions energy: -222.084
where: short stacking energy: -122.114
Base-Backbone interact. energy: -1.533
local terms energy: -133.528468
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -28.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -315.563642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.563642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.563642 (E_RNA)
where:
Base-Base interactions energy: -183.434
where: short stacking energy: -100.964
Base-Backbone interact. energy: -0.111
local terms energy: -132.018328
where:
bonds (distance) C4'-P energy: -37.414
bonds (distance) P-C4' energy: -31.447
flat angles C4'-P-C4' energy: -24.885
flat angles P-C4'-P energy: -19.985
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: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -238.327615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.327615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.327615 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -85.959
Base-Backbone interact. energy: 2.985
local terms energy: -109.512418
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -28.803
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -169.040525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.040525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.040525 (E_RNA)
where:
Base-Base interactions energy: -58.698
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.477
local terms energy: -109.864945
where:
bonds (distance) C4'-P energy: -31.242
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -20.073
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -582.653981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.653981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.653981 (E_RNA)
where:
Base-Base interactions energy: -399.566
where: short stacking energy: -186.491
Base-Backbone interact. energy: -0.156
local terms energy: -182.932085
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -25.348
tors. eta vs tors. theta energy: -46.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -548.247578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.247578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.247578 (E_RNA)
where:
Base-Base interactions energy: -365.818
where: short stacking energy: -173.793
Base-Backbone interact. energy: -0.570
local terms energy: -181.859379
where:
bonds (distance) C4'-P energy: -35.778
bonds (distance) P-C4' energy: -37.129
flat angles C4'-P-C4' energy: -34.112
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -48.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -486.989593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.989593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.989593 (E_RNA)
where:
Base-Base interactions energy: -313.838
where: short stacking energy: -139.141
Base-Backbone interact. energy: -2.486
local terms energy: -170.665562
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -38.813
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -28.551
tors. eta vs tors. theta energy: -39.145
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: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -489.828321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.828321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.828321 (E_RNA)
where:
Base-Base interactions energy: -326.659
where: short stacking energy: -150.577
Base-Backbone interact. energy: -0.731
local terms energy: -162.438467
where:
bonds (distance) C4'-P energy: -34.664
bonds (distance) P-C4' energy: -32.376
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -41.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -485.996214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.996214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.996214 (E_RNA)
where:
Base-Base interactions energy: -342.598
where: short stacking energy: -165.509
Base-Backbone interact. energy: 1.505
local terms energy: -144.903296
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -44.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -351.129846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.129846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.129846 (E_RNA)
where:
Base-Base interactions energy: -203.824
where: short stacking energy: -121.855
Base-Backbone interact. energy: -1.570
local terms energy: -145.735286
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -28.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -351.646389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.646389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.646389 (E_RNA)
where:
Base-Base interactions energy: -210.426
where: short stacking energy: -84.799
Base-Backbone interact. energy: -0.123
local terms energy: -141.097445
where:
bonds (distance) C4'-P energy: -34.045
bonds (distance) P-C4' energy: -35.267
flat angles C4'-P-C4' energy: -37.756
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -15.245
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: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -317.076111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.076111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.076111 (E_RNA)
where:
Base-Base interactions energy: -195.977
where: short stacking energy: -91.749
Base-Backbone interact. energy: -0.875
local terms energy: -120.224275
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -25.398
flat angles C4'-P-C4' energy: -29.304
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -252.536964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.536964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.536964 (E_RNA)
where:
Base-Base interactions energy: -138.910
where: short stacking energy: -89.804
Base-Backbone interact. energy: 4.000
local terms energy: -117.627368
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -15.656
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: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -159.887774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.887774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.887774 (E_RNA)
where:
Base-Base interactions energy: -63.316
where: short stacking energy: -55.660
Base-Backbone interact. energy: -0.775
local terms energy: -95.796736
where:
bonds (distance) C4'-P energy: -29.944
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -575.425048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.425048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.425048 (E_RNA)
where:
Base-Base interactions energy: -380.573
where: short stacking energy: -183.059
Base-Backbone interact. energy: -0.130
local terms energy: -194.722048
where:
bonds (distance) C4'-P energy: -34.227
bonds (distance) P-C4' energy: -33.172
flat angles C4'-P-C4' energy: -42.971
flat angles P-C4'-P energy: -32.708
tors. eta vs tors. theta energy: -51.644
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: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -545.165642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.165642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.165642 (E_RNA)
where:
Base-Base interactions energy: -360.815
where: short stacking energy: -166.366
Base-Backbone interact. energy: -1.650
local terms energy: -182.700489
where:
bonds (distance) C4'-P energy: -35.976
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -38.336
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: -46.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -487.844811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.844811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.844811 (E_RNA)
where:
Base-Base interactions energy: -329.091
where: short stacking energy: -156.300
Base-Backbone interact. energy: 0.665
local terms energy: -159.418981
where:
bonds (distance) C4'-P energy: -29.169
bonds (distance) P-C4' energy: -29.084
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -22.355
tors. eta vs tors. theta energy: -39.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -511.949356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.949356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.949356 (E_RNA)
where:
Base-Base interactions energy: -333.960
where: short stacking energy: -165.631
Base-Backbone interact. energy: 0.000
local terms energy: -177.989796
where:
bonds (distance) C4'-P energy: -37.161
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -37.840
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -40.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -444.242488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.242488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.242488 (E_RNA)
where:
Base-Base interactions energy: -287.574
where: short stacking energy: -129.695
Base-Backbone interact. energy: -0.656
local terms energy: -156.011970
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -36.131
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -31.611
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: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -389.420021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.420021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.420021 (E_RNA)
where:
Base-Base interactions energy: -248.996
where: short stacking energy: -127.249
Base-Backbone interact. energy: -0.920
local terms energy: -139.504565
where:
bonds (distance) C4'-P energy: -30.225
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -27.233
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -22.427
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: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -332.334914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.334914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.334914 (E_RNA)
where:
Base-Base interactions energy: -216.722
where: short stacking energy: -107.944
Base-Backbone interact. energy: 3.565
local terms energy: -119.177935
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -30.409
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -14.563
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: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -338.759855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.759855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.759855 (E_RNA)
where:
Base-Base interactions energy: -198.882
where: short stacking energy: -87.014
Base-Backbone interact. energy: -0.429
local terms energy: -139.448996
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -31.611
flat angles P-C4'-P energy: -20.826
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -237.561724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.561724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.561724 (E_RNA)
where:
Base-Base interactions energy: -130.302
where: short stacking energy: -79.301
Base-Backbone interact. energy: -0.107
local terms energy: -107.153456
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -12.874
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: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -180.056251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.056251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.056251 (E_RNA)
where:
Base-Base interactions energy: -83.016
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.966
local terms energy: -96.074214
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -23.235
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: 2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -555.474471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.474471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.474471 (E_RNA)
where:
Base-Base interactions energy: -370.324
where: short stacking energy: -169.946
Base-Backbone interact. energy: -0.363
local terms energy: -184.787637
where:
bonds (distance) C4'-P energy: -34.130
bonds (distance) P-C4' energy: -39.498
flat angles C4'-P-C4' energy: -39.360
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -49.365
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: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -544.079712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.079712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.079712 (E_RNA)
where:
Base-Base interactions energy: -371.255
where: short stacking energy: -167.282
Base-Backbone interact. energy: 0.049
local terms energy: -172.872912
where:
bonds (distance) C4'-P energy: -33.479
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -41.386
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: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -486.452771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.452771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.452771 (E_RNA)
where:
Base-Base interactions energy: -327.134
where: short stacking energy: -148.556
Base-Backbone interact. energy: -0.846
local terms energy: -158.473148
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -31.875
flat angles C4'-P-C4' energy: -39.722
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -33.243
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: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -469.930883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.930883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.930883 (E_RNA)
where:
Base-Base interactions energy: -306.039
where: short stacking energy: -155.425
Base-Backbone interact. energy: -0.684
local terms energy: -163.208332
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -25.174
flat angles C4'-P-C4' energy: -38.993
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -38.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -428.478331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.478331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.478331 (E_RNA)
where:
Base-Base interactions energy: -279.459
where: short stacking energy: -126.271
Base-Backbone interact. energy: -0.809
local terms energy: -148.211162
where:
bonds (distance) C4'-P energy: -30.643
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -31.799
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -31.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -410.591315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.591315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.591315 (E_RNA)
where:
Base-Base interactions energy: -262.451
where: short stacking energy: -135.529
Base-Backbone interact. energy: -1.941
local terms energy: -146.199222
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -34.442
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -35.569
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: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -333.678028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.678028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.678028 (E_RNA)
where:
Base-Base interactions energy: -204.420
where: short stacking energy: -93.605
Base-Backbone interact. energy: -0.614
local terms energy: -128.643371
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -32.171
flat angles C4'-P-C4' energy: -33.991
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -299.657218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.657218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.657218 (E_RNA)
where:
Base-Base interactions energy: -184.994
where: short stacking energy: -75.351
Base-Backbone interact. energy: 0.387
local terms energy: -115.050539
where:
bonds (distance) C4'-P energy: -28.603
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -31.744
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -226.628220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.628220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.628220 (E_RNA)
where:
Base-Base interactions energy: -116.510
where: short stacking energy: -67.362
Base-Backbone interact. energy: -0.432
local terms energy: -109.686034
where:
bonds (distance) C4'-P energy: -31.822
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -158.465010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.465010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.465010 (E_RNA)
where:
Base-Base interactions energy: -58.379
where: short stacking energy: -49.051
Base-Backbone interact. energy: -0.199
local terms energy: -99.886403
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -564.448436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.448436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.448436 (E_RNA)
where:
Base-Base interactions energy: -369.215
where: short stacking energy: -184.115
Base-Backbone interact. energy: 0.810
local terms energy: -196.043670
where:
bonds (distance) C4'-P energy: -40.467
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -37.049
flat angles P-C4'-P energy: -29.204
tors. eta vs tors. theta energy: -55.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -553.733090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.733090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.733090 (E_RNA)
where:
Base-Base interactions energy: -369.846
where: short stacking energy: -171.677
Base-Backbone interact. energy: 0.091
local terms energy: -183.978673
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -26.783
tors. eta vs tors. theta energy: -50.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -512.189129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.189129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.189129 (E_RNA)
where:
Base-Base interactions energy: -346.295
where: short stacking energy: -156.016
Base-Backbone interact. energy: -0.574
local terms energy: -165.319991
where:
bonds (distance) C4'-P energy: -28.486
bonds (distance) P-C4' energy: -29.972
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -45.462
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: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -462.815396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.815396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.815396 (E_RNA)
where:
Base-Base interactions energy: -304.850
where: short stacking energy: -145.818
Base-Backbone interact. energy: -0.112
local terms energy: -157.854327
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -36.331
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -23.704
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: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -419.081975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.081975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.081975 (E_RNA)
where:
Base-Base interactions energy: -271.519
where: short stacking energy: -127.322
Base-Backbone interact. energy: -0.193
local terms energy: -147.369790
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -34.859
flat angles C4'-P-C4' energy: -33.459
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -30.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -406.299776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.299776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.299776 (E_RNA)
where:
Base-Base interactions energy: -265.430
where: short stacking energy: -127.347
Base-Backbone interact. energy: 0.972
local terms energy: -141.842453
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -23.535
tors. eta vs tors. theta energy: -28.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -325.958598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.958598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.958598 (E_RNA)
where:
Base-Base interactions energy: -203.451
where: short stacking energy: -103.538
Base-Backbone interact. energy: 0.340
local terms energy: -122.848351
where:
bonds (distance) C4'-P energy: -32.180
bonds (distance) P-C4' energy: -36.031
flat angles C4'-P-C4' energy: -23.307
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -351.288931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.288931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.288931 (E_RNA)
where:
Base-Base interactions energy: -214.520
where: short stacking energy: -97.883
Base-Backbone interact. energy: -0.307
local terms energy: -136.462426
where:
bonds (distance) C4'-P energy: -30.796
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -19.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -241.644615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.644615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.644615 (E_RNA)
where:
Base-Base interactions energy: -126.166
where: short stacking energy: -73.726
Base-Backbone interact. energy: 1.357
local terms energy: -116.835718
where:
bonds (distance) C4'-P energy: -27.062
bonds (distance) P-C4' energy: -32.450
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: -8.474
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: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -158.984335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.984335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.984335 (E_RNA)
where:
Base-Base interactions energy: -52.141
where: short stacking energy: -45.753
Base-Backbone interact. energy: -1.224
local terms energy: -105.619462
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -31.079
flat angles C4'-P-C4' energy: -31.150
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -571.319286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.319286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.319286 (E_RNA)
where:
Base-Base interactions energy: -392.648
where: short stacking energy: -176.754
Base-Backbone interact. energy: -1.610
local terms energy: -177.061363
where:
bonds (distance) C4'-P energy: -31.595
bonds (distance) P-C4' energy: -34.392
flat angles C4'-P-C4' energy: -39.542
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -45.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -547.478676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.478676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.478676 (E_RNA)
where:
Base-Base interactions energy: -369.341
where: short stacking energy: -180.391
Base-Backbone interact. energy: -0.171
local terms energy: -177.966774
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -35.813
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -50.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -508.830727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.830727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.830727 (E_RNA)
where:
Base-Base interactions energy: -340.205
where: short stacking energy: -143.196
Base-Backbone interact. energy: -0.537
local terms energy: -168.088855
where:
bonds (distance) C4'-P energy: -35.997
bonds (distance) P-C4' energy: -36.065
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -23.168
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: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -471.163971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.163971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.163971 (E_RNA)
where:
Base-Base interactions energy: -314.742
where: short stacking energy: -136.058
Base-Backbone interact. energy: -1.191
local terms energy: -155.231859
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -32.767
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -38.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -435.489536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.489536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.489536 (E_RNA)
where:
Base-Base interactions energy: -281.768
where: short stacking energy: -137.400
Base-Backbone interact. energy: 0.291
local terms energy: -154.012749
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -37.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -439.563890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.563890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.563890 (E_RNA)
where:
Base-Base interactions energy: -282.709
where: short stacking energy: -138.810
Base-Backbone interact. energy: -0.952
local terms energy: -155.902588
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -34.056
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -40.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -341.392518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.392518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.392518 (E_RNA)
where:
Base-Base interactions energy: -196.831
where: short stacking energy: -110.031
Base-Backbone interact. energy: 0.316
local terms energy: -144.877619
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -34.481
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -315.961681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.961681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.961681 (E_RNA)
where:
Base-Base interactions energy: -194.019
where: short stacking energy: -106.278
Base-Backbone interact. energy: 0.032
local terms energy: -121.974748
where:
bonds (distance) C4'-P energy: -28.549
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -15.822
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: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -236.532866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.532866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.532866 (E_RNA)
where:
Base-Base interactions energy: -108.824
where: short stacking energy: -64.379
Base-Backbone interact. energy: -0.159
local terms energy: -127.549623
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -19.312
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: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -184.494121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.494121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.494121 (E_RNA)
where:
Base-Base interactions energy: -73.939
where: short stacking energy: -64.083
Base-Backbone interact. energy: 0.130
local terms energy: -110.684889
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -24.439
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -7.481
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: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -574.311435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.311435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.311435 (E_RNA)
where:
Base-Base interactions energy: -382.131
where: short stacking energy: -174.296
Base-Backbone interact. energy: -0.172
local terms energy: -192.008177
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -39.051
flat angles C4'-P-C4' energy: -40.661
flat angles P-C4'-P energy: -27.899
tors. eta vs tors. theta energy: -50.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -550.834517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.834517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.834517 (E_RNA)
where:
Base-Base interactions energy: -368.438
where: short stacking energy: -170.918
Base-Backbone interact. energy: -0.956
local terms energy: -181.440540
where:
bonds (distance) C4'-P energy: -29.010
bonds (distance) P-C4' energy: -39.896
flat angles C4'-P-C4' energy: -37.566
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -46.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -516.002193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.002193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.002193 (E_RNA)
where:
Base-Base interactions energy: -339.466
where: short stacking energy: -155.640
Base-Backbone interact. energy: 0.488
local terms energy: -177.024271
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -34.099
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -31.038
tors. eta vs tors. theta energy: -41.470
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: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -458.029704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.029704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.029704 (E_RNA)
where:
Base-Base interactions energy: -294.508
where: short stacking energy: -141.146
Base-Backbone interact. energy: -0.450
local terms energy: -163.072114
where:
bonds (distance) C4'-P energy: -32.565
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -31.968
flat angles P-C4'-P energy: -26.732
tors. eta vs tors. theta energy: -42.433
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: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -472.922268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.922268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.922268 (E_RNA)
where:
Base-Base interactions energy: -314.510
where: short stacking energy: -152.982
Base-Backbone interact. energy: -0.815
local terms energy: -157.597248
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -36.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -437.744382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.744382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.744382 (E_RNA)
where:
Base-Base interactions energy: -277.922
where: short stacking energy: -127.172
Base-Backbone interact. energy: -0.782
local terms energy: -159.040104
where:
bonds (distance) C4'-P energy: -30.263
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -36.239
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: -30.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -313.020864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.020864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.020864 (E_RNA)
where:
Base-Base interactions energy: -185.344
where: short stacking energy: -96.948
Base-Backbone interact. energy: -0.503
local terms energy: -127.173655
where:
bonds (distance) C4'-P energy: -28.921
bonds (distance) P-C4' energy: -30.907
flat angles C4'-P-C4' energy: -28.453
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -312.707598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.707598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.707598 (E_RNA)
where:
Base-Base interactions energy: -198.038
where: short stacking energy: -96.357
Base-Backbone interact. energy: -1.413
local terms energy: -113.256875
where:
bonds (distance) C4'-P energy: -32.572
bonds (distance) P-C4' energy: -30.172
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -8.661
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: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -245.368122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.368122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.368122 (E_RNA)
where:
Base-Base interactions energy: -126.993
where: short stacking energy: -77.052
Base-Backbone interact. energy: -1.043
local terms energy: -117.332852
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -41.470
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -164.250463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.250463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.250463 (E_RNA)
where:
Base-Base interactions energy: -58.457
where: short stacking energy: -58.457
Base-Backbone interact. energy: 1.494
local terms energy: -107.286839
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -29.858
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -11.809
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: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -570.290157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.290157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.290157 (E_RNA)
where:
Base-Base interactions energy: -371.199
where: short stacking energy: -177.085
Base-Backbone interact. energy: -0.316
local terms energy: -198.775059
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -40.932
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: -51.438
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: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -553.208983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.208983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.208983 (E_RNA)
where:
Base-Base interactions energy: -369.179
where: short stacking energy: -176.175
Base-Backbone interact. energy: -0.055
local terms energy: -183.974889
where:
bonds (distance) C4'-P energy: -29.671
bonds (distance) P-C4' energy: -37.893
flat angles C4'-P-C4' energy: -38.569
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -49.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -513.754306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.754306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.754306 (E_RNA)
where:
Base-Base interactions energy: -342.361
where: short stacking energy: -158.894
Base-Backbone interact. energy: -0.461
local terms energy: -170.932108
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -30.985
flat angles C4'-P-C4' energy: -36.467
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -43.095
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: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -440.265788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.265788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.265788 (E_RNA)
where:
Base-Base interactions energy: -279.842
where: short stacking energy: -136.928
Base-Backbone interact. energy: 0.166
local terms energy: -160.590177
where:
bonds (distance) C4'-P energy: -34.180
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -30.953
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -37.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -461.573739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.573739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.573739 (E_RNA)
where:
Base-Base interactions energy: -307.795
where: short stacking energy: -153.476
Base-Backbone interact. energy: 1.174
local terms energy: -154.952546
where:
bonds (distance) C4'-P energy: -34.250
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -39.192
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -36.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -472.273966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.273966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.273966 (E_RNA)
where:
Base-Base interactions energy: -321.315
where: short stacking energy: -136.761
Base-Backbone interact. energy: 2.145
local terms energy: -153.104138
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -34.866
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: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -339.333014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.333014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.333014 (E_RNA)
where:
Base-Base interactions energy: -208.529
where: short stacking energy: -96.439
Base-Backbone interact. energy: -0.434
local terms energy: -130.370166
where:
bonds (distance) C4'-P energy: -27.664
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -18.139
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: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -317.054025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.054025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.054025 (E_RNA)
where:
Base-Base interactions energy: -188.110
where: short stacking energy: -83.803
Base-Backbone interact. energy: 0.488
local terms energy: -129.431633
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -31.950
flat angles C4'-P-C4' energy: -31.491
flat angles P-C4'-P energy: -12.965
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: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -225.333227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.333227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.333227 (E_RNA)
where:
Base-Base interactions energy: -117.761
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.964
local terms energy: -106.607471
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -11.583
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: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -165.075585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.075585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.075585 (E_RNA)
where:
Base-Base interactions energy: -62.846
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.367
local terms energy: -101.862310
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -569.906930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.906930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.906930 (E_RNA)
where:
Base-Base interactions energy: -379.406
where: short stacking energy: -187.126
Base-Backbone interact. energy: -0.010
local terms energy: -190.490703
where:
bonds (distance) C4'-P energy: -35.853
bonds (distance) P-C4' energy: -32.335
flat angles C4'-P-C4' energy: -40.181
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -53.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -560.817142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.817142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.817142 (E_RNA)
where:
Base-Base interactions energy: -368.754
where: short stacking energy: -184.435
Base-Backbone interact. energy: -0.498
local terms energy: -191.565591
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -35.773
flat angles C4'-P-C4' energy: -41.933
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -53.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -521.030608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.030608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.030608 (E_RNA)
where:
Base-Base interactions energy: -349.613
where: short stacking energy: -161.789
Base-Backbone interact. energy: -0.165
local terms energy: -171.252609
where:
bonds (distance) C4'-P energy: -29.688
bonds (distance) P-C4' energy: -38.033
flat angles C4'-P-C4' energy: -41.278
flat angles P-C4'-P energy: -22.780
tors. eta vs tors. theta energy: -39.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -454.131873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.131873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.131873 (E_RNA)
where:
Base-Base interactions energy: -305.978
where: short stacking energy: -125.158
Base-Backbone interact. energy: -1.217
local terms energy: -146.936761
where:
bonds (distance) C4'-P energy: -27.585
bonds (distance) P-C4' energy: -34.191
flat angles C4'-P-C4' energy: -30.921
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -31.200
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: 331
Temperature: 1.100000
Total energy: -419.098437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.098437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.098437 (E_RNA)
where:
Base-Base interactions energy: -282.701
where: short stacking energy: -134.713
Base-Backbone interact. energy: -0.230
local terms energy: -136.167540
where:
bonds (distance) C4'-P energy: -30.001
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -30.605
flat angles P-C4'-P energy: -14.356
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: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -464.269306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.269306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.269306 (E_RNA)
where:
Base-Base interactions energy: -310.237
where: short stacking energy: -144.834
Base-Backbone interact. energy: 1.464
local terms energy: -155.496354
where:
bonds (distance) C4'-P energy: -23.584
bonds (distance) P-C4' energy: -37.352
flat angles C4'-P-C4' energy: -34.368
flat angles P-C4'-P energy: -24.921
tors. eta vs tors. theta energy: -35.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -330.544597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.544597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.544597 (E_RNA)
where:
Base-Base interactions energy: -203.889
where: short stacking energy: -95.503
Base-Backbone interact. energy: -0.485
local terms energy: -126.170428
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -31.191
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -11.829
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: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -312.263607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.263607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.263607 (E_RNA)
where:
Base-Base interactions energy: -190.347
where: short stacking energy: -88.775
Base-Backbone interact. energy: 0.316
local terms energy: -122.232567
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -29.717
flat angles C4'-P-C4' energy: -25.995
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -252.253757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.253757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.253757 (E_RNA)
where:
Base-Base interactions energy: -137.455
where: short stacking energy: -90.674
Base-Backbone interact. energy: 1.130
local terms energy: -115.929016
where:
bonds (distance) C4'-P energy: -29.665
bonds (distance) P-C4' energy: -27.978
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -14.414
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: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -168.928940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.928940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.928940 (E_RNA)
where:
Base-Base interactions energy: -73.012
where: short stacking energy: -73.212
Base-Backbone interact. energy: -0.315
local terms energy: -95.601787
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -579.223600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.223600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.223600 (E_RNA)
where:
Base-Base interactions energy: -390.453
where: short stacking energy: -197.874
Base-Backbone interact. energy: -0.220
local terms energy: -188.550443
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -27.055
tors. eta vs tors. theta energy: -53.318
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -560.231499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.231499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.231499 (E_RNA)
where:
Base-Base interactions energy: -375.654
where: short stacking energy: -181.813
Base-Backbone interact. energy: -0.543
local terms energy: -184.033635
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -37.026
flat angles P-C4'-P energy: -26.026
tors. eta vs tors. theta energy: -51.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -527.033885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.033885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.033885 (E_RNA)
where:
Base-Base interactions energy: -354.154
where: short stacking energy: -169.278
Base-Backbone interact. energy: -0.295
local terms energy: -172.584327
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -35.596
flat angles C4'-P-C4' energy: -33.591
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -41.304
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: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -465.919395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.919395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.919395 (E_RNA)
where:
Base-Base interactions energy: -307.326
where: short stacking energy: -127.898
Base-Backbone interact. energy: -1.332
local terms energy: -157.261230
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -35.847
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -27.097
tors. eta vs tors. theta energy: -30.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -426.243464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.243464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.243464 (E_RNA)
where:
Base-Base interactions energy: -284.787
where: short stacking energy: -140.001
Base-Backbone interact. energy: -0.168
local terms energy: -141.288363
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -35.914
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: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -451.273759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.273759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.273759 (E_RNA)
where:
Base-Base interactions energy: -309.954
where: short stacking energy: -139.775
Base-Backbone interact. energy: -0.211
local terms energy: -141.108787
where:
bonds (distance) C4'-P energy: -29.267
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -36.292
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -34.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -328.545750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.545750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.545750 (E_RNA)
where:
Base-Base interactions energy: -204.275
where: short stacking energy: -107.592
Base-Backbone interact. energy: -0.766
local terms energy: -123.504783
where:
bonds (distance) C4'-P energy: -33.359
bonds (distance) P-C4' energy: -24.679
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -293.533702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.533702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.533702 (E_RNA)
where:
Base-Base interactions energy: -169.032
where: short stacking energy: -82.808
Base-Backbone interact. energy: 0.684
local terms energy: -125.185363
where:
bonds (distance) C4'-P energy: -35.020
bonds (distance) P-C4' energy: -38.334
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -233.872710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.872710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.872710 (E_RNA)
where:
Base-Base interactions energy: -113.943
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.139
local terms energy: -119.790777
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -185.946967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.946967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.946967 (E_RNA)
where:
Base-Base interactions energy: -79.413
where: short stacking energy: -72.683
Base-Backbone interact. energy: 1.561
local terms energy: -108.095241
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -31.046
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -7.768
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: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -584.534941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.534941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.534941 (E_RNA)
where:
Base-Base interactions energy: -390.243
where: short stacking energy: -195.137
Base-Backbone interact. energy: -0.250
local terms energy: -194.042126
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -43.148
flat angles P-C4'-P energy: -29.506
tors. eta vs tors. theta energy: -51.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -522.861916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.861916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.861916 (E_RNA)
where:
Base-Base interactions energy: -362.141
where: short stacking energy: -156.215
Base-Backbone interact. energy: 1.740
local terms energy: -162.460823
where:
bonds (distance) C4'-P energy: -27.169
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -26.463
tors. eta vs tors. theta energy: -38.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -536.803797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.803797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.803797 (E_RNA)
where:
Base-Base interactions energy: -357.770
where: short stacking energy: -174.988
Base-Backbone interact. energy: -0.620
local terms energy: -178.412965
where:
bonds (distance) C4'-P energy: -37.296
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -37.507
flat angles P-C4'-P energy: -22.324
tors. eta vs tors. theta energy: -52.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -465.374791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.374791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.374791 (E_RNA)
where:
Base-Base interactions energy: -294.652
where: short stacking energy: -146.875
Base-Backbone interact. energy: -0.270
local terms energy: -170.452203
where:
bonds (distance) C4'-P energy: -33.427
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -29.639
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -40.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -444.623139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.623139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.623139 (E_RNA)
where:
Base-Base interactions energy: -292.221
where: short stacking energy: -149.370
Base-Backbone interact. energy: -0.149
local terms energy: -152.253337
where:
bonds (distance) C4'-P energy: -32.748
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: -34.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -466.975383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.975383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.975383 (E_RNA)
where:
Base-Base interactions energy: -314.841
where: short stacking energy: -140.262
Base-Backbone interact. energy: 0.743
local terms energy: -152.877509
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -29.049
flat angles C4'-P-C4' energy: -37.244
flat angles P-C4'-P energy: -20.515
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: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -316.921941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.921941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.921941 (E_RNA)
where:
Base-Base interactions energy: -191.301
where: short stacking energy: -92.667
Base-Backbone interact. energy: -0.647
local terms energy: -124.973496
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -320.607180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.607180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.607180 (E_RNA)
where:
Base-Base interactions energy: -199.853
where: short stacking energy: -89.443
Base-Backbone interact. energy: -0.187
local terms energy: -120.566657
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -31.762
flat angles C4'-P-C4' energy: -24.138
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -244.138721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.138721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.138721 (E_RNA)
where:
Base-Base interactions energy: -134.702
where: short stacking energy: -86.684
Base-Backbone interact. energy: 0.799
local terms energy: -110.235177
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -158.643148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.643148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.643148 (E_RNA)
where:
Base-Base interactions energy: -50.829
where: short stacking energy: -46.808
Base-Backbone interact. energy: -0.282
local terms energy: -107.532239
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -25.985
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: 1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -582.842143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.842143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.842143 (E_RNA)
where:
Base-Base interactions energy: -397.754
where: short stacking energy: -183.105
Base-Backbone interact. energy: -0.132
local terms energy: -184.956086
where:
bonds (distance) C4'-P energy: -33.071
bonds (distance) P-C4' energy: -36.780
flat angles C4'-P-C4' energy: -38.986
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -52.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -525.527487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.527487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.527487 (E_RNA)
where:
Base-Base interactions energy: -358.786
where: short stacking energy: -161.350
Base-Backbone interact. energy: -0.336
local terms energy: -166.404793
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -30.209
flat angles C4'-P-C4' energy: -39.500
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -38.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -528.008487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.008487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.008487 (E_RNA)
where:
Base-Base interactions energy: -347.942
where: short stacking energy: -167.582
Base-Backbone interact. energy: -0.617
local terms energy: -179.449882
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: -49.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -495.037831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.037831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.037831 (E_RNA)
where:
Base-Base interactions energy: -311.572
where: short stacking energy: -169.502
Base-Backbone interact. energy: -0.167
local terms energy: -183.298671
where:
bonds (distance) C4'-P energy: -35.828
bonds (distance) P-C4' energy: -36.355
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -25.428
tors. eta vs tors. theta energy: -48.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -475.032730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.032730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.032730 (E_RNA)
where:
Base-Base interactions energy: -321.436
where: short stacking energy: -151.649
Base-Backbone interact. energy: -0.576
local terms energy: -153.020644
where:
bonds (distance) C4'-P energy: -35.877
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -39.307
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: 334
Temperature: 1.150000
Total energy: -454.181063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.181063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.181063 (E_RNA)
where:
Base-Base interactions energy: -310.848
where: short stacking energy: -150.279
Base-Backbone interact. energy: 4.614
local terms energy: -147.947163
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -43.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -319.272651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.272651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.272651 (E_RNA)
where:
Base-Base interactions energy: -177.256
where: short stacking energy: -96.615
Base-Backbone interact. energy: 0.514
local terms energy: -142.530768
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -18.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -294.837175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.837175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.837175 (E_RNA)
where:
Base-Base interactions energy: -177.870
where: short stacking energy: -81.912
Base-Backbone interact. energy: -0.472
local terms energy: -116.495135
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -26.246
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -247.563244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.563244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.563244 (E_RNA)
where:
Base-Base interactions energy: -142.945
where: short stacking energy: -86.069
Base-Backbone interact. energy: -1.800
local terms energy: -102.817771
where:
bonds (distance) C4'-P energy: -27.029
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -30.147
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -11.502
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: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -153.269753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.269753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.269753 (E_RNA)
where:
Base-Base interactions energy: -67.386
where: short stacking energy: -64.795
Base-Backbone interact. energy: -0.458
local terms energy: -85.426399
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -30.839
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -4.503
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: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -574.654006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.654006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.654006 (E_RNA)
where:
Base-Base interactions energy: -389.962
where: short stacking energy: -189.383
Base-Backbone interact. energy: -0.151
local terms energy: -184.540742
where:
bonds (distance) C4'-P energy: -29.965
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -26.757
tors. eta vs tors. theta energy: -53.778
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: 335
Temperature: 0.950000
Total energy: -538.427781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.427781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.427781 (E_RNA)
where:
Base-Base interactions energy: -361.228
where: short stacking energy: -164.206
Base-Backbone interact. energy: -0.302
local terms energy: -176.898071
where:
bonds (distance) C4'-P energy: -40.036
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -35.645
flat angles P-C4'-P energy: -25.918
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: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -521.054148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.054148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.054148 (E_RNA)
where:
Base-Base interactions energy: -346.776
where: short stacking energy: -163.725
Base-Backbone interact. energy: -0.676
local terms energy: -173.602399
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -41.911
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -43.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -487.303307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.303307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.303307 (E_RNA)
where:
Base-Base interactions energy: -326.457
where: short stacking energy: -153.351
Base-Backbone interact. energy: -0.131
local terms energy: -160.714762
where:
bonds (distance) C4'-P energy: -34.591
bonds (distance) P-C4' energy: -38.490
flat angles C4'-P-C4' energy: -29.826
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -43.275
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: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -434.528000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.528000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.528000 (E_RNA)
where:
Base-Base interactions energy: -272.029
where: short stacking energy: -126.571
Base-Backbone interact. energy: -0.227
local terms energy: -162.271674
where:
bonds (distance) C4'-P energy: -32.291
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -36.746
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -32.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -442.596239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.596239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.596239 (E_RNA)
where:
Base-Base interactions energy: -292.391
where: short stacking energy: -137.835
Base-Backbone interact. energy: -0.345
local terms energy: -149.859866
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -30.070
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -34.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -313.669111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.669111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.669111 (E_RNA)
where:
Base-Base interactions energy: -185.359
where: short stacking energy: -103.922
Base-Backbone interact. energy: -0.496
local terms energy: -127.814996
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -21.302
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: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -251.001089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.001089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.001089 (E_RNA)
where:
Base-Base interactions energy: -135.496
where: short stacking energy: -93.386
Base-Backbone interact. energy: -0.778
local terms energy: -114.726548
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: -12.341
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: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -287.386571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.386571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.386571 (E_RNA)
where:
Base-Base interactions energy: -169.163
where: short stacking energy: -81.842
Base-Backbone interact. energy: -0.524
local terms energy: -117.699277
where:
bonds (distance) C4'-P energy: -24.055
bonds (distance) P-C4' energy: -30.530
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -17.357
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: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -173.575170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.575170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.575170 (E_RNA)
where:
Base-Base interactions energy: -68.822
where: short stacking energy: -55.682
Base-Backbone interact. energy: -0.241
local terms energy: -104.512240
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -35.958
flat angles C4'-P-C4' energy: -26.644
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -570.767975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.767975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.767975 (E_RNA)
where:
Base-Base interactions energy: -383.499
where: short stacking energy: -186.548
Base-Backbone interact. energy: -0.121
local terms energy: -187.148010
where:
bonds (distance) C4'-P energy: -33.134
bonds (distance) P-C4' energy: -33.840
flat angles C4'-P-C4' energy: -41.883
flat angles P-C4'-P energy: -26.837
tors. eta vs tors. theta energy: -51.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -544.585119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.585119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.585119 (E_RNA)
where:
Base-Base interactions energy: -371.649
where: short stacking energy: -169.613
Base-Backbone interact. energy: -0.233
local terms energy: -172.702658
where:
bonds (distance) C4'-P energy: -34.223
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -39.405
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -45.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -530.837984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.837984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.837984 (E_RNA)
where:
Base-Base interactions energy: -357.989
where: short stacking energy: -168.652
Base-Backbone interact. energy: 1.217
local terms energy: -174.065806
where:
bonds (distance) C4'-P energy: -31.712
bonds (distance) P-C4' energy: -36.576
flat angles C4'-P-C4' energy: -37.378
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -45.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -498.615293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.615293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.615293 (E_RNA)
where:
Base-Base interactions energy: -349.070
where: short stacking energy: -153.773
Base-Backbone interact. energy: 0.434
local terms energy: -149.978908
where:
bonds (distance) C4'-P energy: -28.249
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -36.460
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -41.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -427.526847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.526847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.526847 (E_RNA)
where:
Base-Base interactions energy: -274.460
where: short stacking energy: -128.586
Base-Backbone interact. energy: 1.907
local terms energy: -154.973885
where:
bonds (distance) C4'-P energy: -34.504
bonds (distance) P-C4' energy: -29.687
flat angles C4'-P-C4' energy: -36.471
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -30.497
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: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -440.904858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.904858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.904858 (E_RNA)
where:
Base-Base interactions energy: -301.234
where: short stacking energy: -140.717
Base-Backbone interact. energy: -0.617
local terms energy: -139.053920
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -31.904
flat angles C4'-P-C4' energy: -33.704
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -33.043
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: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -330.950758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.950758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.950758 (E_RNA)
where:
Base-Base interactions energy: -205.449
where: short stacking energy: -91.386
Base-Backbone interact. energy: -0.780
local terms energy: -124.721692
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -31.893
flat angles C4'-P-C4' energy: -29.336
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -12.823
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: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -297.578425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.578425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.578425 (E_RNA)
where:
Base-Base interactions energy: -194.429
where: short stacking energy: -89.538
Base-Backbone interact. energy: -0.327
local terms energy: -102.822041
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -15.410
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: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -291.962718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.962718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.962718 (E_RNA)
where:
Base-Base interactions energy: -185.897
where: short stacking energy: -81.566
Base-Backbone interact. energy: -0.873
local terms energy: -105.191969
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -7.504
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: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -222.451095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.451095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.451095 (E_RNA)
where:
Base-Base interactions energy: -117.952
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.473
local terms energy: -104.026107
where:
bonds (distance) C4'-P energy: -30.982
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -563.222396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.222396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.222396 (E_RNA)
where:
Base-Base interactions energy: -382.374
where: short stacking energy: -179.404
Base-Backbone interact. energy: -0.064
local terms energy: -180.783979
where:
bonds (distance) C4'-P energy: -29.459
bonds (distance) P-C4' energy: -34.837
flat angles C4'-P-C4' energy: -39.939
flat angles P-C4'-P energy: -28.643
tors. eta vs tors. theta energy: -47.906
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: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -551.998740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.998740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.998740 (E_RNA)
where:
Base-Base interactions energy: -369.186
where: short stacking energy: -170.876
Base-Backbone interact. energy: 1.383
local terms energy: -184.194772
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -37.832
flat angles C4'-P-C4' energy: -36.599
flat angles P-C4'-P energy: -24.557
tors. eta vs tors. theta energy: -49.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -510.981393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.981393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.981393 (E_RNA)
where:
Base-Base interactions energy: -332.694
where: short stacking energy: -158.807
Base-Backbone interact. energy: -0.508
local terms energy: -177.779177
where:
bonds (distance) C4'-P energy: -39.843
bonds (distance) P-C4' energy: -35.892
flat angles C4'-P-C4' energy: -32.557
flat angles P-C4'-P energy: -25.121
tors. eta vs tors. theta energy: -44.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -516.309371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.309371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.309371 (E_RNA)
where:
Base-Base interactions energy: -343.269
where: short stacking energy: -148.156
Base-Backbone interact. energy: -0.171
local terms energy: -172.868982
where:
bonds (distance) C4'-P energy: -35.293
bonds (distance) P-C4' energy: -34.595
flat angles C4'-P-C4' energy: -40.575
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -43.722
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -434.821923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.821923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.821923 (E_RNA)
where:
Base-Base interactions energy: -278.286
where: short stacking energy: -118.579
Base-Backbone interact. energy: -0.579
local terms energy: -155.956969
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -35.459
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -28.693
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -419.044434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.044434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.044434 (E_RNA)
where:
Base-Base interactions energy: -276.074
where: short stacking energy: -123.547
Base-Backbone interact. energy: -1.124
local terms energy: -141.845943
where:
bonds (distance) C4'-P energy: -30.233
bonds (distance) P-C4' energy: -31.600
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -23.781
tors. eta vs tors. theta energy: -32.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -315.938835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.938835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.938835 (E_RNA)
where:
Base-Base interactions energy: -187.775
where: short stacking energy: -80.444
Base-Backbone interact. energy: 1.591
local terms energy: -129.755312
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -28.668
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -313.296164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.296164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.296164 (E_RNA)
where:
Base-Base interactions energy: -194.791
where: short stacking energy: -95.772
Base-Backbone interact. energy: -0.540
local terms energy: -117.965622
where:
bonds (distance) C4'-P energy: -35.480
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -15.010
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: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -317.851761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.851761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.851761 (E_RNA)
where:
Base-Base interactions energy: -188.133
where: short stacking energy: -95.996
Base-Backbone interact. energy: -0.390
local terms energy: -129.328344
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -18.839
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: 337
Temperature: 1.350000
Total energy: -215.815473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.815473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.815473 (E_RNA)
where:
Base-Base interactions energy: -107.151
where: short stacking energy: -64.261
Base-Backbone interact. energy: 0.149
local terms energy: -108.812588
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -30.365
flat angles C4'-P-C4' energy: -34.152
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -576.186748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.186748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.186748 (E_RNA)
where:
Base-Base interactions energy: -385.928
where: short stacking energy: -188.640
Base-Backbone interact. energy: -0.288
local terms energy: -189.970353
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -35.618
flat angles C4'-P-C4' energy: -40.370
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -54.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -549.846526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.846526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.846526 (E_RNA)
where:
Base-Base interactions energy: -357.953
where: short stacking energy: -175.328
Base-Backbone interact. energy: -0.499
local terms energy: -191.393732
where:
bonds (distance) C4'-P energy: -33.334
bonds (distance) P-C4' energy: -35.784
flat angles C4'-P-C4' energy: -43.209
flat angles P-C4'-P energy: -29.145
tors. eta vs tors. theta energy: -49.921
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: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -501.905845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.905845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.905845 (E_RNA)
where:
Base-Base interactions energy: -337.140
where: short stacking energy: -153.382
Base-Backbone interact. energy: -0.356
local terms energy: -164.410237
where:
bonds (distance) C4'-P energy: -27.935
bonds (distance) P-C4' energy: -39.384
flat angles C4'-P-C4' energy: -39.502
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -35.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -486.938860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.938860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.938860 (E_RNA)
where:
Base-Base interactions energy: -327.813
where: short stacking energy: -153.121
Base-Backbone interact. energy: -0.531
local terms energy: -158.594682
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -34.703
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -36.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -422.925069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.925069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.925069 (E_RNA)
where:
Base-Base interactions energy: -289.121
where: short stacking energy: -130.719
Base-Backbone interact. energy: -1.307
local terms energy: -132.497151
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -418.887110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.887110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.887110 (E_RNA)
where:
Base-Base interactions energy: -274.126
where: short stacking energy: -113.987
Base-Backbone interact. energy: 1.438
local terms energy: -146.198869
where:
bonds (distance) C4'-P energy: -36.042
bonds (distance) P-C4' energy: -29.133
flat angles C4'-P-C4' energy: -35.842
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -31.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -325.483097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.483097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.483097 (E_RNA)
where:
Base-Base interactions energy: -189.254
where: short stacking energy: -92.345
Base-Backbone interact. energy: -1.406
local terms energy: -134.822869
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -31.606
flat angles C4'-P-C4' energy: -33.888
flat angles P-C4'-P energy: -17.228
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -324.326544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.326544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.326544 (E_RNA)
where:
Base-Base interactions energy: -203.961
where: short stacking energy: -96.907
Base-Backbone interact. energy: -0.355
local terms energy: -120.010758
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -32.012
flat angles C4'-P-C4' energy: -26.083
flat angles P-C4'-P energy: -21.623
tors. eta vs tors. theta energy: -16.425
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: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -306.966819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.966819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.966819 (E_RNA)
where:
Base-Base interactions energy: -176.196
where: short stacking energy: -75.847
Base-Backbone interact. energy: -1.673
local terms energy: -129.098524
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -32.295
flat angles C4'-P-C4' energy: -30.396
flat angles P-C4'-P energy: -21.030
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: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -273.336638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.336638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.336638 (E_RNA)
where:
Base-Base interactions energy: -164.957
where: short stacking energy: -79.955
Base-Backbone interact. energy: -0.117
local terms energy: -108.262756
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -28.091
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -8.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -579.137920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.137920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.137920 (E_RNA)
where:
Base-Base interactions energy: -391.546
where: short stacking energy: -182.501
Base-Backbone interact. energy: -0.439
local terms energy: -187.152571
where:
bonds (distance) C4'-P energy: -30.507
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -43.095
flat angles P-C4'-P energy: -29.583
tors. eta vs tors. theta energy: -50.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -559.703754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.703754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.703754 (E_RNA)
where:
Base-Base interactions energy: -373.890
where: short stacking energy: -183.278
Base-Backbone interact. energy: 0.191
local terms energy: -186.004323
where:
bonds (distance) C4'-P energy: -36.679
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -47.710
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: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -500.190477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.190477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.190477 (E_RNA)
where:
Base-Base interactions energy: -341.740
where: short stacking energy: -154.627
Base-Backbone interact. energy: 0.024
local terms energy: -158.474584
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -30.957
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -22.532
tors. eta vs tors. theta energy: -38.508
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: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -442.708063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.708063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.708063 (E_RNA)
where:
Base-Base interactions energy: -298.422
where: short stacking energy: -135.796
Base-Backbone interact. energy: 1.058
local terms energy: -145.343572
where:
bonds (distance) C4'-P energy: -36.549
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -29.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -493.638091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.638091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.638091 (E_RNA)
where:
Base-Base interactions energy: -336.977
where: short stacking energy: -150.285
Base-Backbone interact. energy: 0.240
local terms energy: -156.901905
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -31.164
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -38.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -408.798243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.798243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.798243 (E_RNA)
where:
Base-Base interactions energy: -276.341
where: short stacking energy: -112.897
Base-Backbone interact. energy: -0.409
local terms energy: -132.047900
where:
bonds (distance) C4'-P energy: -29.574
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -28.255
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -25.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -323.013461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.013461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.013461 (E_RNA)
where:
Base-Base interactions energy: -197.105
where: short stacking energy: -104.003
Base-Backbone interact. energy: -0.839
local terms energy: -125.069153
where:
bonds (distance) C4'-P energy: -25.221
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -16.377
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: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -329.051215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.051215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.051215 (E_RNA)
where:
Base-Base interactions energy: -205.558
where: short stacking energy: -106.438
Base-Backbone interact. energy: -0.091
local terms energy: -123.401618
where:
bonds (distance) C4'-P energy: -28.541
bonds (distance) P-C4' energy: -29.754
flat angles C4'-P-C4' energy: -25.150
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -286.005916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.005916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.005916 (E_RNA)
where:
Base-Base interactions energy: -178.449
where: short stacking energy: -84.737
Base-Backbone interact. energy: -0.462
local terms energy: -107.095452
where:
bonds (distance) C4'-P energy: -30.062
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -301.570916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.570916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.570916 (E_RNA)
where:
Base-Base interactions energy: -180.513
where: short stacking energy: -97.369
Base-Backbone interact. energy: -0.270
local terms energy: -120.787416
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -567.282045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.282045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.282045 (E_RNA)
where:
Base-Base interactions energy: -377.441
where: short stacking energy: -183.657
Base-Backbone interact. energy: -0.380
local terms energy: -189.461128
where:
bonds (distance) C4'-P energy: -34.618
bonds (distance) P-C4' energy: -37.904
flat angles C4'-P-C4' energy: -39.067
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: -51.565
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: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -553.486730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.486730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.486730 (E_RNA)
where:
Base-Base interactions energy: -379.917
where: short stacking energy: -172.670
Base-Backbone interact. energy: -0.700
local terms energy: -172.870261
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -26.888
tors. eta vs tors. theta energy: -47.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -497.507001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.507001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.507001 (E_RNA)
where:
Base-Base interactions energy: -342.129
where: short stacking energy: -150.640
Base-Backbone interact. energy: -1.165
local terms energy: -154.213621
where:
bonds (distance) C4'-P energy: -26.563
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -29.058
tors. eta vs tors. theta energy: -34.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -473.852060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.852060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.852060 (E_RNA)
where:
Base-Base interactions energy: -307.490
where: short stacking energy: -152.293
Base-Backbone interact. energy: -0.213
local terms energy: -166.148422
where:
bonds (distance) C4'-P energy: -33.437
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -34.574
flat angles P-C4'-P energy: -25.733
tors. eta vs tors. theta energy: -36.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -490.080549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.080549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.080549 (E_RNA)
where:
Base-Base interactions energy: -333.062
where: short stacking energy: -167.492
Base-Backbone interact. energy: -0.896
local terms energy: -156.122225
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -30.879
flat angles C4'-P-C4' energy: -31.912
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -41.647
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: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -449.695923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.695923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.695923 (E_RNA)
where:
Base-Base interactions energy: -299.809
where: short stacking energy: -132.417
Base-Backbone interact. energy: -0.352
local terms energy: -149.535680
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -32.895
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -29.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -321.308588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.308588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.308588 (E_RNA)
where:
Base-Base interactions energy: -187.372
where: short stacking energy: -92.398
Base-Backbone interact. energy: -0.642
local terms energy: -133.294377
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -33.326
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -319.662756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.662756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.662756 (E_RNA)
where:
Base-Base interactions energy: -192.011
where: short stacking energy: -89.530
Base-Backbone interact. energy: 1.320
local terms energy: -128.971943
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -39.823
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -21.426
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -235.245578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.245578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.245578 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -79.080
Base-Backbone interact. energy: -0.258
local terms energy: -88.997969
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -304.828671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.828671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.828671 (E_RNA)
where:
Base-Base interactions energy: -182.410
where: short stacking energy: -86.193
Base-Backbone interact. energy: -1.043
local terms energy: -121.375726
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -37.411
flat angles C4'-P-C4' energy: -34.523
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -15.561
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: 341
Temperature: 0.900000
Total energy: -568.053183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.053183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.053183 (E_RNA)
where:
Base-Base interactions energy: -379.159
where: short stacking energy: -185.442
Base-Backbone interact. energy: -0.278
local terms energy: -188.616523
where:
bonds (distance) C4'-P energy: -31.404
bonds (distance) P-C4' energy: -32.527
flat angles C4'-P-C4' energy: -41.947
flat angles P-C4'-P energy: -29.786
tors. eta vs tors. theta energy: -52.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -557.187897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.187897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.187897 (E_RNA)
where:
Base-Base interactions energy: -381.439
where: short stacking energy: -178.856
Base-Backbone interact. energy: 0.727
local terms energy: -176.475484
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -35.355
flat angles C4'-P-C4' energy: -32.711
flat angles P-C4'-P energy: -31.315
tors. eta vs tors. theta energy: -50.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -505.597826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.597826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.597826 (E_RNA)
where:
Base-Base interactions energy: -343.030
where: short stacking energy: -150.602
Base-Backbone interact. energy: 1.394
local terms energy: -163.961990
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -37.102
flat angles P-C4'-P energy: -26.554
tors. eta vs tors. theta energy: -38.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -487.301983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.301983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.301983 (E_RNA)
where:
Base-Base interactions energy: -330.281
where: short stacking energy: -152.362
Base-Backbone interact. energy: 0.525
local terms energy: -157.545423
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -37.057
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -36.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -491.293226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.293226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.293226 (E_RNA)
where:
Base-Base interactions energy: -326.862
where: short stacking energy: -154.658
Base-Backbone interact. energy: -1.100
local terms energy: -163.331055
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -29.625
flat angles C4'-P-C4' energy: -36.711
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -44.259
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: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -445.946058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.946058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.946058 (E_RNA)
where:
Base-Base interactions energy: -293.553
where: short stacking energy: -127.770
Base-Backbone interact. energy: 1.837
local terms energy: -154.230062
where:
bonds (distance) C4'-P energy: -36.555
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -32.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -342.715085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.715085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.715085 (E_RNA)
where:
Base-Base interactions energy: -212.649
where: short stacking energy: -95.837
Base-Backbone interact. energy: -0.476
local terms energy: -129.590174
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -31.660
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -322.975783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.975783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.975783 (E_RNA)
where:
Base-Base interactions energy: -204.327
where: short stacking energy: -78.497
Base-Backbone interact. energy: -0.943
local terms energy: -117.705414
where:
bonds (distance) C4'-P energy: -33.604
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -285.551378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.551378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.551378 (E_RNA)
where:
Base-Base interactions energy: -165.938
where: short stacking energy: -97.972
Base-Backbone interact. energy: -0.238
local terms energy: -119.376046
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -281.599327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.599327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.599327 (E_RNA)
where:
Base-Base interactions energy: -161.725
where: short stacking energy: -86.621
Base-Backbone interact. energy: -0.275
local terms energy: -119.599409
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -36.353
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -3.322
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: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -560.167503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.167503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.167503 (E_RNA)
where:
Base-Base interactions energy: -370.852
where: short stacking energy: -175.112
Base-Backbone interact. energy: -0.029
local terms energy: -189.286349
where:
bonds (distance) C4'-P energy: -35.115
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -39.557
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: -49.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -549.485124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.485124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.485124 (E_RNA)
where:
Base-Base interactions energy: -371.945
where: short stacking energy: -183.393
Base-Backbone interact. energy: -0.345
local terms energy: -177.194819
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -32.802
flat angles C4'-P-C4' energy: -37.950
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -51.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -529.906762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.906762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.906762 (E_RNA)
where:
Base-Base interactions energy: -353.333
where: short stacking energy: -150.105
Base-Backbone interact. energy: -0.982
local terms energy: -175.591436
where:
bonds (distance) C4'-P energy: -31.977
bonds (distance) P-C4' energy: -37.591
flat angles C4'-P-C4' energy: -38.579
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -41.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -489.533866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.533866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.533866 (E_RNA)
where:
Base-Base interactions energy: -321.351
where: short stacking energy: -153.350
Base-Backbone interact. energy: 0.809
local terms energy: -168.991607
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -38.386
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: -38.316
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: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -461.692544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.692544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.692544 (E_RNA)
where:
Base-Base interactions energy: -311.403
where: short stacking energy: -140.171
Base-Backbone interact. energy: 1.489
local terms energy: -151.778172
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -33.230
flat angles C4'-P-C4' energy: -34.844
flat angles P-C4'-P energy: -25.788
tors. eta vs tors. theta energy: -31.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -426.400675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.400675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.400675 (E_RNA)
where:
Base-Base interactions energy: -277.066
where: short stacking energy: -135.388
Base-Backbone interact. energy: -0.132
local terms energy: -149.202758
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -29.367
flat angles C4'-P-C4' energy: -33.202
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -355.282297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.282297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.282297 (E_RNA)
where:
Base-Base interactions energy: -230.029
where: short stacking energy: -109.823
Base-Backbone interact. energy: 0.161
local terms energy: -125.414197
where:
bonds (distance) C4'-P energy: -29.779
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -303.188812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.188812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.188812 (E_RNA)
where:
Base-Base interactions energy: -185.663
where: short stacking energy: -87.418
Base-Backbone interact. energy: -0.510
local terms energy: -117.015815
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -32.670
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -10.522
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: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -283.062435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.062435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.062435 (E_RNA)
where:
Base-Base interactions energy: -169.119
where: short stacking energy: -76.937
Base-Backbone interact. energy: 1.756
local terms energy: -115.698541
where:
bonds (distance) C4'-P energy: -34.408
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -25.642
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -244.351657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.351657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.351657 (E_RNA)
where:
Base-Base interactions energy: -144.723
where: short stacking energy: -71.824
Base-Backbone interact. energy: 0.722
local terms energy: -100.350591
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -4.934
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: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -572.704330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.704330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.704330 (E_RNA)
where:
Base-Base interactions energy: -382.162
where: short stacking energy: -183.002
Base-Backbone interact. energy: -0.819
local terms energy: -189.723799
where:
bonds (distance) C4'-P energy: -33.260
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -41.634
flat angles P-C4'-P energy: -34.102
tors. eta vs tors. theta energy: -50.184
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: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -545.953550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.953550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.953550 (E_RNA)
where:
Base-Base interactions energy: -361.871
where: short stacking energy: -171.293
Base-Backbone interact. energy: -1.596
local terms energy: -182.486473
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -35.027
flat angles C4'-P-C4' energy: -39.467
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -48.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -500.376108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.376108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.376108 (E_RNA)
where:
Base-Base interactions energy: -335.199
where: short stacking energy: -152.530
Base-Backbone interact. energy: -0.304
local terms energy: -164.872930
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -36.170
flat angles P-C4'-P energy: -29.595
tors. eta vs tors. theta energy: -35.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -491.170533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.170533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.170533 (E_RNA)
where:
Base-Base interactions energy: -314.896
where: short stacking energy: -149.056
Base-Backbone interact. energy: -0.378
local terms energy: -175.896220
where:
bonds (distance) C4'-P energy: -36.547
bonds (distance) P-C4' energy: -40.006
flat angles C4'-P-C4' energy: -40.966
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -37.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -455.181547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.181547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.181547 (E_RNA)
where:
Base-Base interactions energy: -303.298
where: short stacking energy: -128.979
Base-Backbone interact. energy: 0.008
local terms energy: -151.891637
where:
bonds (distance) C4'-P energy: -28.789
bonds (distance) P-C4' energy: -33.652
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -24.968
tors. eta vs tors. theta energy: -35.298
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: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -438.875250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.875250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.875250 (E_RNA)
where:
Base-Base interactions energy: -284.985
where: short stacking energy: -139.601
Base-Backbone interact. energy: -0.667
local terms energy: -153.223849
where:
bonds (distance) C4'-P energy: -30.974
bonds (distance) P-C4' energy: -31.915
flat angles C4'-P-C4' energy: -32.650
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -34.758
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: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -338.906483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.906483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.906483 (E_RNA)
where:
Base-Base interactions energy: -212.328
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.094
local terms energy: -126.484984
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -31.940
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -16.193
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: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -304.649963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.649963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.649963 (E_RNA)
where:
Base-Base interactions energy: -173.844
where: short stacking energy: -81.559
Base-Backbone interact. energy: -0.705
local terms energy: -130.100230
where:
bonds (distance) C4'-P energy: -34.348
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -22.107
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -290.628757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.628757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.628757 (E_RNA)
where:
Base-Base interactions energy: -167.398
where: short stacking energy: -75.245
Base-Backbone interact. energy: -0.311
local terms energy: -122.919447
where:
bonds (distance) C4'-P energy: -26.557
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -20.383
tors. eta vs tors. theta energy: -14.924
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: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -212.851133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.851133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.851133 (E_RNA)
where:
Base-Base interactions energy: -118.424
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.473
local terms energy: -93.953579
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -27.358
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -573.897854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.897854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.897854 (E_RNA)
where:
Base-Base interactions energy: -389.510
where: short stacking energy: -180.751
Base-Backbone interact. energy: -0.012
local terms energy: -184.375774
where:
bonds (distance) C4'-P energy: -37.891
bonds (distance) P-C4' energy: -36.126
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -50.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -555.942907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.942907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.942907 (E_RNA)
where:
Base-Base interactions energy: -371.084
where: short stacking energy: -179.891
Base-Backbone interact. energy: -0.420
local terms energy: -184.438956
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -36.809
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -30.698
tors. eta vs tors. theta energy: -46.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -526.732104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.732104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.732104 (E_RNA)
where:
Base-Base interactions energy: -358.260
where: short stacking energy: -152.957
Base-Backbone interact. energy: 0.007
local terms energy: -168.479225
where:
bonds (distance) C4'-P energy: -31.306
bonds (distance) P-C4' energy: -30.361
flat angles C4'-P-C4' energy: -38.545
flat angles P-C4'-P energy: -29.875
tors. eta vs tors. theta energy: -38.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -485.105525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.105525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.105525 (E_RNA)
where:
Base-Base interactions energy: -322.316
where: short stacking energy: -156.892
Base-Backbone interact. energy: 0.348
local terms energy: -163.137499
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -29.663
tors. eta vs tors. theta energy: -38.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -496.217825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.217825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.217825 (E_RNA)
where:
Base-Base interactions energy: -334.695
where: short stacking energy: -151.388
Base-Backbone interact. energy: -0.136
local terms energy: -161.387083
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -35.669
flat angles C4'-P-C4' energy: -34.940
flat angles P-C4'-P energy: -19.160
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: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -429.566728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.566728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.566728 (E_RNA)
where:
Base-Base interactions energy: -269.780
where: short stacking energy: -137.613
Base-Backbone interact. energy: -0.570
local terms energy: -159.216855
where:
bonds (distance) C4'-P energy: -32.370
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -34.023
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -34.401
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: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -360.374454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.374454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.374454 (E_RNA)
where:
Base-Base interactions energy: -243.310
where: short stacking energy: -116.164
Base-Backbone interact. energy: -1.632
local terms energy: -115.432137
where:
bonds (distance) C4'-P energy: -26.425
bonds (distance) P-C4' energy: -22.658
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: -24.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -318.636766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.636766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.636766 (E_RNA)
where:
Base-Base interactions energy: -185.150
where: short stacking energy: -91.365
Base-Backbone interact. energy: 0.432
local terms energy: -133.918561
where:
bonds (distance) C4'-P energy: -35.033
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -31.319
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -295.157089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.157089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.157089 (E_RNA)
where:
Base-Base interactions energy: -169.504
where: short stacking energy: -90.922
Base-Backbone interact. energy: -0.130
local terms energy: -125.523414
where:
bonds (distance) C4'-P energy: -29.898
bonds (distance) P-C4' energy: -33.536
flat angles C4'-P-C4' energy: -30.888
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -13.625
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: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -251.855991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.855991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.855991 (E_RNA)
where:
Base-Base interactions energy: -147.823
where: short stacking energy: -85.815
Base-Backbone interact. energy: 2.426
local terms energy: -106.459220
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -27.048
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -16.923
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: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -558.472462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.472462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.472462 (E_RNA)
where:
Base-Base interactions energy: -373.040
where: short stacking energy: -179.741
Base-Backbone interact. energy: -0.787
local terms energy: -184.646148
where:
bonds (distance) C4'-P energy: -33.844
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -39.528
flat angles P-C4'-P energy: -28.745
tors. eta vs tors. theta energy: -46.323
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: 345
Temperature: 0.950000
Total energy: -537.904620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.904620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.904620 (E_RNA)
where:
Base-Base interactions energy: -364.033
where: short stacking energy: -172.835
Base-Backbone interact. energy: 2.837
local terms energy: -176.708192
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -39.635
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: -45.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -532.421457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.421457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.421457 (E_RNA)
where:
Base-Base interactions energy: -352.464
where: short stacking energy: -169.371
Base-Backbone interact. energy: -0.548
local terms energy: -179.409403
where:
bonds (distance) C4'-P energy: -32.955
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -40.020
flat angles P-C4'-P energy: -26.593
tors. eta vs tors. theta energy: -51.374
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: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -514.324878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.324878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.324878 (E_RNA)
where:
Base-Base interactions energy: -332.341
where: short stacking energy: -151.337
Base-Backbone interact. energy: -0.344
local terms energy: -181.639934
where:
bonds (distance) C4'-P energy: -34.674
bonds (distance) P-C4' energy: -38.298
flat angles C4'-P-C4' energy: -41.537
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -39.023
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: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -467.100361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.100361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.100361 (E_RNA)
where:
Base-Base interactions energy: -313.488
where: short stacking energy: -142.513
Base-Backbone interact. energy: -0.736
local terms energy: -152.876740
where:
bonds (distance) C4'-P energy: -30.497
bonds (distance) P-C4' energy: -34.984
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -28.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -391.751522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.751522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.751522 (E_RNA)
where:
Base-Base interactions energy: -256.506
where: short stacking energy: -126.159
Base-Backbone interact. energy: -0.859
local terms energy: -134.385960
where:
bonds (distance) C4'-P energy: -23.857
bonds (distance) P-C4' energy: -32.682
flat angles C4'-P-C4' energy: -27.462
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -34.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -418.090927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.090927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.090927 (E_RNA)
where:
Base-Base interactions energy: -259.198
where: short stacking energy: -129.382
Base-Backbone interact. energy: -0.268
local terms energy: -158.625398
where:
bonds (distance) C4'-P energy: -34.293
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -31.510
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -31.465
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: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -317.881719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.881719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.881719 (E_RNA)
where:
Base-Base interactions energy: -184.794
where: short stacking energy: -87.267
Base-Backbone interact. energy: -0.784
local terms energy: -132.302885
where:
bonds (distance) C4'-P energy: -37.088
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -22.004
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: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -290.947685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.947685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.947685 (E_RNA)
where:
Base-Base interactions energy: -163.677
where: short stacking energy: -67.829
Base-Backbone interact. energy: 1.074
local terms energy: -128.343879
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -27.208
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -230.609606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.609606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.609606 (E_RNA)
where:
Base-Base interactions energy: -112.883
where: short stacking energy: -63.336
Base-Backbone interact. energy: -0.993
local terms energy: -116.732913
where:
bonds (distance) C4'-P energy: -30.618
bonds (distance) P-C4' energy: -31.978
flat angles C4'-P-C4' energy: -31.064
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -569.440078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.440078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.440078 (E_RNA)
where:
Base-Base interactions energy: -384.700
where: short stacking energy: -183.494
Base-Backbone interact. energy: -0.642
local terms energy: -184.097401
where:
bonds (distance) C4'-P energy: -32.189
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -39.058
flat angles P-C4'-P energy: -27.456
tors. eta vs tors. theta energy: -52.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -541.736615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.736615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.736615 (E_RNA)
where:
Base-Base interactions energy: -358.414
where: short stacking energy: -176.765
Base-Backbone interact. energy: -0.338
local terms energy: -182.984193
where:
bonds (distance) C4'-P energy: -32.222
bonds (distance) P-C4' energy: -33.480
flat angles C4'-P-C4' energy: -39.816
flat angles P-C4'-P energy: -28.545
tors. eta vs tors. theta energy: -48.921
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: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -521.672520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.672520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.672520 (E_RNA)
where:
Base-Base interactions energy: -361.273
where: short stacking energy: -162.964
Base-Backbone interact. energy: -0.413
local terms energy: -159.986637
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -33.260
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -40.657
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: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -528.716061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.716061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.716061 (E_RNA)
where:
Base-Base interactions energy: -357.189
where: short stacking energy: -165.303
Base-Backbone interact. energy: -0.292
local terms energy: -171.234826
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -26.893
tors. eta vs tors. theta energy: -43.843
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: 346
Temperature: 1.100000
Total energy: -472.233806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.233806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.233806 (E_RNA)
where:
Base-Base interactions energy: -313.643
where: short stacking energy: -142.773
Base-Backbone interact. energy: -0.319
local terms energy: -158.271555
where:
bonds (distance) C4'-P energy: -30.700
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -36.780
flat angles P-C4'-P energy: -19.459
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: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -385.816869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.816869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.816869 (E_RNA)
where:
Base-Base interactions energy: -252.921
where: short stacking energy: -115.807
Base-Backbone interact. energy: -0.668
local terms energy: -132.228001
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -29.812
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -416.871188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.871188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.871188 (E_RNA)
where:
Base-Base interactions energy: -272.535
where: short stacking energy: -131.370
Base-Backbone interact. energy: -0.835
local terms energy: -143.501047
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -28.077
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -30.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -335.448380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.448380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.448380 (E_RNA)
where:
Base-Base interactions energy: -205.351
where: short stacking energy: -98.760
Base-Backbone interact. energy: 0.306
local terms energy: -130.402975
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -15.881
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: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -313.493948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.493948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.493948 (E_RNA)
where:
Base-Base interactions energy: -191.117
where: short stacking energy: -78.444
Base-Backbone interact. energy: -0.364
local terms energy: -122.012210
where:
bonds (distance) C4'-P energy: -30.424
bonds (distance) P-C4' energy: -22.587
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -21.230
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: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -276.804690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.804690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.804690 (E_RNA)
where:
Base-Base interactions energy: -173.673
where: short stacking energy: -79.273
Base-Backbone interact. energy: -0.081
local terms energy: -103.051079
where:
bonds (distance) C4'-P energy: -29.554
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -569.548504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.548504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.548504 (E_RNA)
where:
Base-Base interactions energy: -372.528
where: short stacking energy: -182.635
Base-Backbone interact. energy: -0.007
local terms energy: -197.013730
where:
bonds (distance) C4'-P energy: -34.785
bonds (distance) P-C4' energy: -36.707
flat angles C4'-P-C4' energy: -41.188
flat angles P-C4'-P energy: -28.518
tors. eta vs tors. theta energy: -55.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -553.927255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.927255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.927255 (E_RNA)
where:
Base-Base interactions energy: -372.666
where: short stacking energy: -181.970
Base-Backbone interact. energy: -0.452
local terms energy: -180.808646
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -35.889
flat angles C4'-P-C4' energy: -39.331
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -50.288
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: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -518.355761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.355761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.355761 (E_RNA)
where:
Base-Base interactions energy: -348.690
where: short stacking energy: -154.544
Base-Backbone interact. energy: -1.469
local terms energy: -168.196278
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -33.280
flat angles C4'-P-C4' energy: -42.815
flat angles P-C4'-P energy: -24.575
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: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -485.459995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.459995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.459995 (E_RNA)
where:
Base-Base interactions energy: -331.147
where: short stacking energy: -145.884
Base-Backbone interact. energy: -0.500
local terms energy: -153.813154
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -29.827
flat angles C4'-P-C4' energy: -30.173
flat angles P-C4'-P energy: -18.925
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: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -470.416267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.416267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.416267 (E_RNA)
where:
Base-Base interactions energy: -306.027
where: short stacking energy: -142.044
Base-Backbone interact. energy: -0.511
local terms energy: -163.878571
where:
bonds (distance) C4'-P energy: -36.634
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -34.453
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -31.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -407.063284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.063284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.063284 (E_RNA)
where:
Base-Base interactions energy: -266.206
where: short stacking energy: -136.923
Base-Backbone interact. energy: -0.048
local terms energy: -140.809270
where:
bonds (distance) C4'-P energy: -32.841
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -32.882
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -29.186
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: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -375.529935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.529935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.529935 (E_RNA)
where:
Base-Base interactions energy: -258.777
where: short stacking energy: -115.042
Base-Backbone interact. energy: -1.443
local terms energy: -115.310145
where:
bonds (distance) C4'-P energy: -30.241
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -320.990430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.990430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.990430 (E_RNA)
where:
Base-Base interactions energy: -187.242
where: short stacking energy: -91.475
Base-Backbone interact. energy: -0.382
local terms energy: -133.366742
where:
bonds (distance) C4'-P energy: -35.627
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -17.510
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: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -327.008430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.008430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.008430 (E_RNA)
where:
Base-Base interactions energy: -193.275
where: short stacking energy: -93.896
Base-Backbone interact. energy: -0.083
local terms energy: -133.649460
where:
bonds (distance) C4'-P energy: -27.717
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -37.991
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -22.960
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: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -274.858126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.858126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.858126 (E_RNA)
where:
Base-Base interactions energy: -174.170
where: short stacking energy: -88.682
Base-Backbone interact. energy: 0.011
local terms energy: -100.699417
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -561.609709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.609709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.609709 (E_RNA)
where:
Base-Base interactions energy: -372.993
where: short stacking energy: -185.926
Base-Backbone interact. energy: 0.449
local terms energy: -189.065604
where:
bonds (distance) C4'-P energy: -36.154
bonds (distance) P-C4' energy: -37.677
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -54.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -546.912737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.912737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.912737 (E_RNA)
where:
Base-Base interactions energy: -370.392
where: short stacking energy: -178.649
Base-Backbone interact. energy: -0.159
local terms energy: -176.362366
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -39.246
flat angles P-C4'-P energy: -26.894
tors. eta vs tors. theta energy: -46.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -528.467180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.467180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.467180 (E_RNA)
where:
Base-Base interactions energy: -359.091
where: short stacking energy: -180.128
Base-Backbone interact. energy: -0.392
local terms energy: -168.983580
where:
bonds (distance) C4'-P energy: -27.607
bonds (distance) P-C4' energy: -32.867
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -47.714
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: 348
Temperature: 1.050000
Total energy: -516.453136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.453136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.453136 (E_RNA)
where:
Base-Base interactions energy: -343.982
where: short stacking energy: -163.749
Base-Backbone interact. energy: -0.461
local terms energy: -172.010351
where:
bonds (distance) C4'-P energy: -32.295
bonds (distance) P-C4' energy: -33.473
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -27.237
tors. eta vs tors. theta energy: -43.909
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: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -440.901935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.901935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.901935 (E_RNA)
where:
Base-Base interactions energy: -281.150
where: short stacking energy: -123.222
Base-Backbone interact. energy: 0.215
local terms energy: -159.966503
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -35.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -451.984033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.984033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.984033 (E_RNA)
where:
Base-Base interactions energy: -294.896
where: short stacking energy: -132.405
Base-Backbone interact. energy: -0.851
local terms energy: -156.237263
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -29.847
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -33.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -381.199056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.199056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.199056 (E_RNA)
where:
Base-Base interactions energy: -231.642
where: short stacking energy: -105.533
Base-Backbone interact. energy: 0.132
local terms energy: -149.689381
where:
bonds (distance) C4'-P energy: -28.706
bonds (distance) P-C4' energy: -28.514
flat angles C4'-P-C4' energy: -36.809
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -28.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -301.824514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.824514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.824514 (E_RNA)
where:
Base-Base interactions energy: -179.823
where: short stacking energy: -90.135
Base-Backbone interact. energy: 2.314
local terms energy: -124.315978
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -33.487
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -302.139694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.139694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.139694 (E_RNA)
where:
Base-Base interactions energy: -183.429
where: short stacking energy: -97.290
Base-Backbone interact. energy: -0.279
local terms energy: -118.431205
where:
bonds (distance) C4'-P energy: -31.067
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -294.035642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.035642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.035642 (E_RNA)
where:
Base-Base interactions energy: -181.598
where: short stacking energy: -81.809
Base-Backbone interact. energy: 0.023
local terms energy: -112.460707
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -29.774
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -561.399709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.399709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.399709 (E_RNA)
where:
Base-Base interactions energy: -375.274
where: short stacking energy: -179.289
Base-Backbone interact. energy: -0.990
local terms energy: -185.136250
where:
bonds (distance) C4'-P energy: -35.677
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -26.251
tors. eta vs tors. theta energy: -52.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -551.137418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.137418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.137418 (E_RNA)
where:
Base-Base interactions energy: -369.000
where: short stacking energy: -173.775
Base-Backbone interact. energy: -1.105
local terms energy: -181.031884
where:
bonds (distance) C4'-P energy: -31.745
bonds (distance) P-C4' energy: -39.418
flat angles C4'-P-C4' energy: -41.141
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -43.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -542.803898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.803898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.803898 (E_RNA)
where:
Base-Base interactions energy: -371.429
where: short stacking energy: -181.078
Base-Backbone interact. energy: -0.057
local terms energy: -171.317855
where:
bonds (distance) C4'-P energy: -25.015
bonds (distance) P-C4' energy: -34.258
flat angles C4'-P-C4' energy: -39.814
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: -48.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -513.183712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.183712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.183712 (E_RNA)
where:
Base-Base interactions energy: -337.253
where: short stacking energy: -159.193
Base-Backbone interact. energy: -0.567
local terms energy: -175.363474
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -28.668
tors. eta vs tors. theta energy: -44.626
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: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -453.038696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.038696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.038696 (E_RNA)
where:
Base-Base interactions energy: -288.227
where: short stacking energy: -156.086
Base-Backbone interact. energy: -0.183
local terms energy: -164.628812
where:
bonds (distance) C4'-P energy: -31.625
bonds (distance) P-C4' energy: -30.867
flat angles C4'-P-C4' energy: -36.445
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -41.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -450.946465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.946465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.946465 (E_RNA)
where:
Base-Base interactions energy: -294.966
where: short stacking energy: -133.482
Base-Backbone interact. energy: -0.407
local terms energy: -155.573609
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -38.241
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -26.252
tors. eta vs tors. theta energy: -34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -406.249294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.249294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.249294 (E_RNA)
where:
Base-Base interactions energy: -268.845
where: short stacking energy: -132.184
Base-Backbone interact. energy: -0.051
local terms energy: -137.353779
where:
bonds (distance) C4'-P energy: -26.265
bonds (distance) P-C4' energy: -30.951
flat angles C4'-P-C4' energy: -32.053
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -322.004115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.004115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.004115 (E_RNA)
where:
Base-Base interactions energy: -195.931
where: short stacking energy: -93.853
Base-Backbone interact. energy: -0.899
local terms energy: -125.174295
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -286.778807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.778807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.778807 (E_RNA)
where:
Base-Base interactions energy: -169.908
where: short stacking energy: -77.481
Base-Backbone interact. energy: -0.690
local terms energy: -116.180806
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -272.733827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.733827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.733827 (E_RNA)
where:
Base-Base interactions energy: -177.651
where: short stacking energy: -72.368
Base-Backbone interact. energy: 0.017
local terms energy: -95.100012
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -25.149
flat angles C4'-P-C4' energy: -28.294
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -6.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -549.876285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.876285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.876285 (E_RNA)
where:
Base-Base interactions energy: -365.767
where: short stacking energy: -185.420
Base-Backbone interact. energy: -0.332
local terms energy: -183.777448
where:
bonds (distance) C4'-P energy: -35.128
bonds (distance) P-C4' energy: -33.585
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -23.212
tors. eta vs tors. theta energy: -51.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -568.610207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.610207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.610207 (E_RNA)
where:
Base-Base interactions energy: -375.182
where: short stacking energy: -176.328
Base-Backbone interact. energy: -0.084
local terms energy: -193.343869
where:
bonds (distance) C4'-P energy: -36.666
bonds (distance) P-C4' energy: -37.982
flat angles C4'-P-C4' energy: -39.794
flat angles P-C4'-P energy: -29.124
tors. eta vs tors. theta energy: -49.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -520.818109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.818109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.818109 (E_RNA)
where:
Base-Base interactions energy: -356.291
where: short stacking energy: -157.644
Base-Backbone interact. energy: -0.979
local terms energy: -163.547551
where:
bonds (distance) C4'-P energy: -31.828
bonds (distance) P-C4' energy: -32.667
flat angles C4'-P-C4' energy: -37.788
flat angles P-C4'-P energy: -22.764
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: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -515.261459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.261459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.261459 (E_RNA)
where:
Base-Base interactions energy: -361.550
where: short stacking energy: -173.723
Base-Backbone interact. energy: -0.091
local terms energy: -153.620469
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -28.565
flat angles C4'-P-C4' energy: -32.794
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -48.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -449.928141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.928141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.928141 (E_RNA)
where:
Base-Base interactions energy: -293.761
where: short stacking energy: -132.985
Base-Backbone interact. energy: -0.198
local terms energy: -155.969188
where:
bonds (distance) C4'-P energy: -32.225
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -40.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -457.883271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.883271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.883271 (E_RNA)
where:
Base-Base interactions energy: -298.429
where: short stacking energy: -134.098
Base-Backbone interact. energy: -0.336
local terms energy: -159.118030
where:
bonds (distance) C4'-P energy: -33.143
bonds (distance) P-C4' energy: -31.647
flat angles C4'-P-C4' energy: -34.895
flat angles P-C4'-P energy: -28.858
tors. eta vs tors. theta energy: -30.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -344.038051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.038051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.038051 (E_RNA)
where:
Base-Base interactions energy: -222.400
where: short stacking energy: -113.246
Base-Backbone interact. energy: 1.902
local terms energy: -123.539926
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -17.210
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -377.899553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.899553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.899553 (E_RNA)
where:
Base-Base interactions energy: -246.164
where: short stacking energy: -118.378
Base-Backbone interact. energy: -0.144
local terms energy: -131.591496
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -31.516
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -268.803581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.803581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.803581 (E_RNA)
where:
Base-Base interactions energy: -166.987
where: short stacking energy: -86.352
Base-Backbone interact. energy: -1.105
local terms energy: -100.711867
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -4.069
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: 350
Temperature: 1.350000
Total energy: -284.047105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.047105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.047105 (E_RNA)
where:
Base-Base interactions energy: -180.104
where: short stacking energy: -78.522
Base-Backbone interact. energy: 0.527
local terms energy: -104.469900
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -5.177
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: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -551.142716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.142716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.142716 (E_RNA)
where:
Base-Base interactions energy: -367.117
where: short stacking energy: -187.227
Base-Backbone interact. energy: -0.623
local terms energy: -183.401982
where:
bonds (distance) C4'-P energy: -39.189
bonds (distance) P-C4' energy: -31.862
flat angles C4'-P-C4' energy: -36.105
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -53.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -555.790682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.790682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.790682 (E_RNA)
where:
Base-Base interactions energy: -364.258
where: short stacking energy: -183.272
Base-Backbone interact. energy: -0.074
local terms energy: -191.458415
where:
bonds (distance) C4'-P energy: -35.249
bonds (distance) P-C4' energy: -30.298
flat angles C4'-P-C4' energy: -40.782
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -55.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -505.787200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.787200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.787200 (E_RNA)
where:
Base-Base interactions energy: -343.190
where: short stacking energy: -164.338
Base-Backbone interact. energy: -0.497
local terms energy: -162.099562
where:
bonds (distance) C4'-P energy: -28.894
bonds (distance) P-C4' energy: -34.259
flat angles C4'-P-C4' energy: -34.382
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -42.516
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: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -535.598871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.598871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.598871 (E_RNA)
where:
Base-Base interactions energy: -362.569
where: short stacking energy: -175.668
Base-Backbone interact. energy: -0.140
local terms energy: -172.890321
where:
bonds (distance) C4'-P energy: -31.918
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -32.781
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -49.688
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: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -421.687481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.687481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.687481 (E_RNA)
where:
Base-Base interactions energy: -264.468
where: short stacking energy: -136.656
Base-Backbone interact. energy: -0.272
local terms energy: -156.946652
where:
bonds (distance) C4'-P energy: -34.140
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -37.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -476.836819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.836819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.836819 (E_RNA)
where:
Base-Base interactions energy: -306.705
where: short stacking energy: -142.885
Base-Backbone interact. energy: -0.217
local terms energy: -169.915108
where:
bonds (distance) C4'-P energy: -29.483
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -41.100
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -44.535
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: 351
Temperature: 1.200000
Total energy: -326.525612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.525612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.525612 (E_RNA)
where:
Base-Base interactions energy: -210.090
where: short stacking energy: -89.338
Base-Backbone interact. energy: 0.251
local terms energy: -116.687016
where:
bonds (distance) C4'-P energy: -29.909
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -354.180468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.180468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.180468 (E_RNA)
where:
Base-Base interactions energy: -222.479
where: short stacking energy: -101.335
Base-Backbone interact. energy: -0.246
local terms energy: -131.456046
where:
bonds (distance) C4'-P energy: -31.357
bonds (distance) P-C4' energy: -30.469
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -240.114979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.114979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.114979 (E_RNA)
where:
Base-Base interactions energy: -124.745
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.507
local terms energy: -114.862609
where:
bonds (distance) C4'-P energy: -36.312
bonds (distance) P-C4' energy: -26.706
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -277.871199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.871199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.871199 (E_RNA)
where:
Base-Base interactions energy: -177.694
where: short stacking energy: -84.535
Base-Backbone interact. energy: -0.735
local terms energy: -99.441907
where:
bonds (distance) C4'-P energy: -30.023
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -8.094
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: 352
Temperature: 0.900000
Total energy: -562.736714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.736714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.736714 (E_RNA)
where:
Base-Base interactions energy: -374.974
where: short stacking energy: -184.308
Base-Backbone interact. energy: -0.372
local terms energy: -187.390045
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -37.757
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -50.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -555.615434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.615434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.615434 (E_RNA)
where:
Base-Base interactions energy: -373.366
where: short stacking energy: -181.755
Base-Backbone interact. energy: -0.662
local terms energy: -181.587336
where:
bonds (distance) C4'-P energy: -35.140
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -26.195
tors. eta vs tors. theta energy: -47.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -535.436687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.436687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.436687 (E_RNA)
where:
Base-Base interactions energy: -355.790
where: short stacking energy: -161.878
Base-Backbone interact. energy: 0.070
local terms energy: -179.716588
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -41.913
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: -44.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -521.047580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.047580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.047580 (E_RNA)
where:
Base-Base interactions energy: -347.134
where: short stacking energy: -158.687
Base-Backbone interact. energy: -0.486
local terms energy: -173.426782
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -27.979
tors. eta vs tors. theta energy: -46.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -473.103782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.103782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.103782 (E_RNA)
where:
Base-Base interactions energy: -316.138
where: short stacking energy: -152.369
Base-Backbone interact. energy: -0.101
local terms energy: -156.864575
where:
bonds (distance) C4'-P energy: -32.449
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -35.859
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: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -413.840583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.840583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.840583 (E_RNA)
where:
Base-Base interactions energy: -268.986
where: short stacking energy: -128.508
Base-Backbone interact. energy: 0.133
local terms energy: -144.987944
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -34.623
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: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -327.203136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.203136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.203136 (E_RNA)
where:
Base-Base interactions energy: -192.086
where: short stacking energy: -92.804
Base-Backbone interact. energy: -1.226
local terms energy: -133.890581
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -34.109
flat angles C4'-P-C4' energy: -28.174
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -330.627304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.627304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.627304 (E_RNA)
where:
Base-Base interactions energy: -196.987
where: short stacking energy: -105.300
Base-Backbone interact. energy: -0.279
local terms energy: -133.360490
where:
bonds (distance) C4'-P energy: -31.528
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -33.902
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -307.168193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.168193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.168193 (E_RNA)
where:
Base-Base interactions energy: -173.065
where: short stacking energy: -83.469
Base-Backbone interact. energy: -0.938
local terms energy: -133.164644
where:
bonds (distance) C4'-P energy: -24.464
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -260.097529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.097529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.097529 (E_RNA)
where:
Base-Base interactions energy: -153.098
where: short stacking energy: -70.355
Base-Backbone interact. energy: -0.539
local terms energy: -106.460916
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -30.699
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -6.282
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: 353
Temperature: 0.900000
Total energy: -563.141627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.141627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.141627 (E_RNA)
where:
Base-Base interactions energy: -370.934
where: short stacking energy: -183.399
Base-Backbone interact. energy: 0.548
local terms energy: -192.755173
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -40.012
flat angles C4'-P-C4' energy: -41.453
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -51.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -559.173331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.173331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.173331 (E_RNA)
where:
Base-Base interactions energy: -375.296
where: short stacking energy: -191.706
Base-Backbone interact. energy: 0.588
local terms energy: -184.465399
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -28.334
tors. eta vs tors. theta energy: -52.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -519.305985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.305985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.305985 (E_RNA)
where:
Base-Base interactions energy: -338.934
where: short stacking energy: -159.522
Base-Backbone interact. energy: 0.449
local terms energy: -180.821092
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -37.816
flat angles C4'-P-C4' energy: -39.764
flat angles P-C4'-P energy: -28.004
tors. eta vs tors. theta energy: -41.557
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: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -503.500256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.500256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.500256 (E_RNA)
where:
Base-Base interactions energy: -342.752
where: short stacking energy: -164.735
Base-Backbone interact. energy: -0.161
local terms energy: -160.587087
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -40.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -482.078070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.078070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.078070 (E_RNA)
where:
Base-Base interactions energy: -329.292
where: short stacking energy: -153.399
Base-Backbone interact. energy: 0.798
local terms energy: -153.584255
where:
bonds (distance) C4'-P energy: -24.608
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -40.546
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: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -422.851951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.851951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.851951 (E_RNA)
where:
Base-Base interactions energy: -263.078
where: short stacking energy: -118.787
Base-Backbone interact. energy: 0.124
local terms energy: -159.897346
where:
bonds (distance) C4'-P energy: -35.666
bonds (distance) P-C4' energy: -37.135
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -29.920
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: 353
Temperature: 1.200000
Total energy: -328.194083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.194083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.194083 (E_RNA)
where:
Base-Base interactions energy: -204.537
where: short stacking energy: -96.401
Base-Backbone interact. energy: -2.458
local terms energy: -121.199030
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -28.243
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -284.558705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.558705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.558705 (E_RNA)
where:
Base-Base interactions energy: -173.860
where: short stacking energy: -77.726
Base-Backbone interact. energy: 0.265
local terms energy: -110.963969
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -311.351436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.351436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.351436 (E_RNA)
where:
Base-Base interactions energy: -189.564
where: short stacking energy: -87.089
Base-Backbone interact. energy: -0.683
local terms energy: -121.104512
where:
bonds (distance) C4'-P energy: -27.070
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -26.349
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -270.969260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.969260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.969260 (E_RNA)
where:
Base-Base interactions energy: -158.438
where: short stacking energy: -75.779
Base-Backbone interact. energy: -0.254
local terms energy: -112.277143
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -28.633
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -18.712
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -564.950259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.950259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.950259 (E_RNA)
where:
Base-Base interactions energy: -369.255
where: short stacking energy: -174.587
Base-Backbone interact. energy: -0.366
local terms energy: -195.329476
where:
bonds (distance) C4'-P energy: -36.974
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -39.696
flat angles P-C4'-P energy: -30.230
tors. eta vs tors. theta energy: -50.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -553.670740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.670740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.670740 (E_RNA)
where:
Base-Base interactions energy: -366.348
where: short stacking energy: -187.135
Base-Backbone interact. energy: -0.441
local terms energy: -186.882462
where:
bonds (distance) C4'-P energy: -31.955
bonds (distance) P-C4' energy: -39.094
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -52.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -514.595154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.595154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.595154 (E_RNA)
where:
Base-Base interactions energy: -344.139
where: short stacking energy: -158.067
Base-Backbone interact. energy: 0.887
local terms energy: -171.342413
where:
bonds (distance) C4'-P energy: -33.844
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -25.698
tors. eta vs tors. theta energy: -46.593
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: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -495.705566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.705566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.705566 (E_RNA)
where:
Base-Base interactions energy: -325.664
where: short stacking energy: -161.923
Base-Backbone interact. energy: 0.799
local terms energy: -170.840864
where:
bonds (distance) C4'-P energy: -30.908
bonds (distance) P-C4' energy: -43.424
flat angles C4'-P-C4' energy: -32.035
flat angles P-C4'-P energy: -22.841
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: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -453.562232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.562232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.562232 (E_RNA)
where:
Base-Base interactions energy: -293.331
where: short stacking energy: -138.517
Base-Backbone interact. energy: -0.314
local terms energy: -159.917324
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -35.662
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -31.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -457.406959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.406959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.406959 (E_RNA)
where:
Base-Base interactions energy: -315.028
where: short stacking energy: -130.777
Base-Backbone interact. energy: -0.524
local terms energy: -141.855227
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: -29.372
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: 354
Temperature: 1.200000
Total energy: -341.550208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.550208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.550208 (E_RNA)
where:
Base-Base interactions energy: -200.506
where: short stacking energy: -111.629
Base-Backbone interact. energy: -1.012
local terms energy: -140.032274
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -34.678
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -27.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -309.548693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.548693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.548693 (E_RNA)
where:
Base-Base interactions energy: -179.624
where: short stacking energy: -100.520
Base-Backbone interact. energy: -0.662
local terms energy: -129.263400
where:
bonds (distance) C4'-P energy: -29.038
bonds (distance) P-C4' energy: -31.792
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -290.381659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.381659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.381659 (E_RNA)
where:
Base-Base interactions energy: -171.876
where: short stacking energy: -92.553
Base-Backbone interact. energy: -0.365
local terms energy: -118.140777
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -290.481743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.481743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.481743 (E_RNA)
where:
Base-Base interactions energy: -185.029
where: short stacking energy: -87.422
Base-Backbone interact. energy: -0.621
local terms energy: -104.830967
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -24.047
flat angles C4'-P-C4' energy: -25.646
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -549.799152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.799152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.799152 (E_RNA)
where:
Base-Base interactions energy: -373.022
where: short stacking energy: -180.278
Base-Backbone interact. energy: -0.133
local terms energy: -176.644172
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -21.723
tors. eta vs tors. theta energy: -48.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -546.676862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.676862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.676862 (E_RNA)
where:
Base-Base interactions energy: -371.714
where: short stacking energy: -188.265
Base-Backbone interact. energy: -0.428
local terms energy: -174.534508
where:
bonds (distance) C4'-P energy: -33.093
bonds (distance) P-C4' energy: -36.546
flat angles C4'-P-C4' energy: -35.684
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -48.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -530.138286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.138286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.138286 (E_RNA)
where:
Base-Base interactions energy: -352.379
where: short stacking energy: -162.143
Base-Backbone interact. energy: 0.328
local terms energy: -178.086634
where:
bonds (distance) C4'-P energy: -30.554
bonds (distance) P-C4' energy: -35.455
flat angles C4'-P-C4' energy: -37.745
flat angles P-C4'-P energy: -23.859
tors. eta vs tors. theta energy: -50.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -491.907273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.907273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.907273 (E_RNA)
where:
Base-Base interactions energy: -316.974
where: short stacking energy: -152.760
Base-Backbone interact. energy: -0.116
local terms energy: -174.816897
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -29.506
tors. eta vs tors. theta energy: -45.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -443.607036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.607036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.607036 (E_RNA)
where:
Base-Base interactions energy: -290.371
where: short stacking energy: -140.223
Base-Backbone interact. energy: -0.773
local terms energy: -152.462844
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -31.417
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -33.249
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: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -419.337369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.337369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.337369 (E_RNA)
where:
Base-Base interactions energy: -261.650
where: short stacking energy: -123.866
Base-Backbone interact. energy: -0.823
local terms energy: -156.865294
where:
bonds (distance) C4'-P energy: -26.860
bonds (distance) P-C4' energy: -33.762
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -30.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -362.468196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.468196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.468196 (E_RNA)
where:
Base-Base interactions energy: -221.094
where: short stacking energy: -105.826
Base-Backbone interact. energy: 0.968
local terms energy: -142.341871
where:
bonds (distance) C4'-P energy: -34.476
bonds (distance) P-C4' energy: -33.860
flat angles C4'-P-C4' energy: -29.334
flat angles P-C4'-P energy: -18.158
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -307.941387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.941387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.941387 (E_RNA)
where:
Base-Base interactions energy: -184.376
where: short stacking energy: -80.337
Base-Backbone interact. energy: -1.130
local terms energy: -122.435506
where:
bonds (distance) C4'-P energy: -24.412
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -13.504
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: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -306.261152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.261152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.261152 (E_RNA)
where:
Base-Base interactions energy: -174.276
where: short stacking energy: -91.872
Base-Backbone interact. energy: 0.949
local terms energy: -132.933684
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -31.871
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -24.251
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: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -306.589443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.589443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.589443 (E_RNA)
where:
Base-Base interactions energy: -184.158
where: short stacking energy: -87.905
Base-Backbone interact. energy: -0.044
local terms energy: -122.388142
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -35.345
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -555.353443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.353443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.353443 (E_RNA)
where:
Base-Base interactions energy: -358.701
where: short stacking energy: -180.250
Base-Backbone interact. energy: -2.467
local terms energy: -194.185850
where:
bonds (distance) C4'-P energy: -34.906
bonds (distance) P-C4' energy: -39.941
flat angles C4'-P-C4' energy: -39.898
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -51.177
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: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -545.161451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.161451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.161451 (E_RNA)
where:
Base-Base interactions energy: -365.129
where: short stacking energy: -173.761
Base-Backbone interact. energy: -0.123
local terms energy: -179.909201
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -36.824
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -49.482
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: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -502.658293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.658293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.658293 (E_RNA)
where:
Base-Base interactions energy: -341.455
where: short stacking energy: -165.053
Base-Backbone interact. energy: -1.291
local terms energy: -159.912202
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -31.128
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: -39.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -515.989346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.989346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.989346 (E_RNA)
where:
Base-Base interactions energy: -348.082
where: short stacking energy: -165.614
Base-Backbone interact. energy: -0.885
local terms energy: -167.022072
where:
bonds (distance) C4'-P energy: -30.875
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -42.251
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -42.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -457.609303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.609303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.609303 (E_RNA)
where:
Base-Base interactions energy: -305.147
where: short stacking energy: -140.694
Base-Backbone interact. energy: -0.206
local terms energy: -152.256372
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -32.416
flat angles C4'-P-C4' energy: -35.565
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -37.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -402.849442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.849442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.849442 (E_RNA)
where:
Base-Base interactions energy: -262.913
where: short stacking energy: -123.953
Base-Backbone interact. energy: 0.928
local terms energy: -140.864322
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -31.284
flat angles C4'-P-C4' energy: -29.408
flat angles P-C4'-P energy: -23.149
tors. eta vs tors. theta energy: -30.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -349.956335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.956335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.956335 (E_RNA)
where:
Base-Base interactions energy: -222.607
where: short stacking energy: -118.668
Base-Backbone interact. energy: -0.307
local terms energy: -127.042120
where:
bonds (distance) C4'-P energy: -29.536
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -21.487
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: 356
Temperature: 1.250000
Total energy: -311.360361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.360361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.360361 (E_RNA)
where:
Base-Base interactions energy: -189.462
where: short stacking energy: -89.002
Base-Backbone interact. energy: -0.200
local terms energy: -121.699077
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -29.475
flat angles C4'-P-C4' energy: -25.423
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -15.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -281.293083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.293083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.293083 (E_RNA)
where:
Base-Base interactions energy: -167.378
where: short stacking energy: -78.059
Base-Backbone interact. energy: -0.564
local terms energy: -113.351281
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -29.477
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -306.627115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.627115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.627115 (E_RNA)
where:
Base-Base interactions energy: -186.824
where: short stacking energy: -83.292
Base-Backbone interact. energy: -0.444
local terms energy: -119.358743
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -558.668537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.668537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.668537 (E_RNA)
where:
Base-Base interactions energy: -376.968
where: short stacking energy: -185.939
Base-Backbone interact. energy: -0.336
local terms energy: -181.364236
where:
bonds (distance) C4'-P energy: -36.594
bonds (distance) P-C4' energy: -34.955
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -51.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -548.944700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.944700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.944700 (E_RNA)
where:
Base-Base interactions energy: -369.647
where: short stacking energy: -178.318
Base-Backbone interact. energy: -0.078
local terms energy: -179.219266
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -35.650
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -523.759159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.759159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.759159 (E_RNA)
where:
Base-Base interactions energy: -350.620
where: short stacking energy: -156.308
Base-Backbone interact. energy: -0.518
local terms energy: -172.621274
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -40.813
flat angles C4'-P-C4' energy: -34.679
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: -40.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -525.961507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.961507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.961507 (E_RNA)
where:
Base-Base interactions energy: -369.765
where: short stacking energy: -175.731
Base-Backbone interact. energy: -1.071
local terms energy: -155.124935
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -28.479
flat angles C4'-P-C4' energy: -29.366
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -42.811
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: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -476.963980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.963980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.963980 (E_RNA)
where:
Base-Base interactions energy: -317.826
where: short stacking energy: -149.854
Base-Backbone interact. energy: -0.756
local terms energy: -158.382362
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -38.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -362.015786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.015786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.015786 (E_RNA)
where:
Base-Base interactions energy: -225.852
where: short stacking energy: -89.797
Base-Backbone interact. energy: -0.594
local terms energy: -135.569673
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -27.569
flat angles C4'-P-C4' energy: -36.159
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -18.745
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: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -352.762993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.762993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.762993 (E_RNA)
where:
Base-Base interactions energy: -234.726
where: short stacking energy: -105.894
Base-Backbone interact. energy: 2.576
local terms energy: -120.612325
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -34.523
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -351.973385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.973385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.973385 (E_RNA)
where:
Base-Base interactions energy: -218.504
where: short stacking energy: -100.818
Base-Backbone interact. energy: -0.575
local terms energy: -132.894680
where:
bonds (distance) C4'-P energy: -28.189
bonds (distance) P-C4' energy: -32.233
flat angles C4'-P-C4' energy: -35.257
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -317.769094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.769094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.769094 (E_RNA)
where:
Base-Base interactions energy: -189.666
where: short stacking energy: -98.240
Base-Backbone interact. energy: -0.718
local terms energy: -127.384785
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -309.310562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.310562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.310562 (E_RNA)
where:
Base-Base interactions energy: -184.296
where: short stacking energy: -88.519
Base-Backbone interact. energy: 0.117
local terms energy: -125.131953
where:
bonds (distance) C4'-P energy: -34.476
bonds (distance) P-C4' energy: -31.103
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -559.876944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.876944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.876944 (E_RNA)
where:
Base-Base interactions energy: -371.166
where: short stacking energy: -185.134
Base-Backbone interact. energy: -0.360
local terms energy: -188.350455
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -32.908
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -55.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -568.278104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.278104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.278104 (E_RNA)
where:
Base-Base interactions energy: -374.529
where: short stacking energy: -183.528
Base-Backbone interact. energy: 0.043
local terms energy: -193.791889
where:
bonds (distance) C4'-P energy: -37.225
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -37.274
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -54.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -541.314820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.314820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.314820 (E_RNA)
where:
Base-Base interactions energy: -363.400
where: short stacking energy: -172.362
Base-Backbone interact. energy: -0.230
local terms energy: -177.684791
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -25.447
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: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -509.182063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.182063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.182063 (E_RNA)
where:
Base-Base interactions energy: -353.505
where: short stacking energy: -159.424
Base-Backbone interact. energy: -1.122
local terms energy: -154.555342
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -32.556
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -39.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -454.413643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.413643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.413643 (E_RNA)
where:
Base-Base interactions energy: -291.842
where: short stacking energy: -131.292
Base-Backbone interact. energy: -0.178
local terms energy: -162.393841
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -35.755
flat angles P-C4'-P energy: -22.075
tors. eta vs tors. theta energy: -34.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -365.678374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.678374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.678374 (E_RNA)
where:
Base-Base interactions energy: -227.427
where: short stacking energy: -100.706
Base-Backbone interact. energy: 0.504
local terms energy: -138.755301
where:
bonds (distance) C4'-P energy: -36.738
bonds (distance) P-C4' energy: -32.074
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -21.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -362.817575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.817575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.817575 (E_RNA)
where:
Base-Base interactions energy: -241.061
where: short stacking energy: -103.711
Base-Backbone interact. energy: -0.703
local terms energy: -121.054087
where:
bonds (distance) C4'-P energy: -26.606
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -28.275
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -16.544
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -350.106919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.106919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.106919 (E_RNA)
where:
Base-Base interactions energy: -218.425
where: short stacking energy: -103.839
Base-Backbone interact. energy: -0.617
local terms energy: -131.064719
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -39.070
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -320.679866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.679866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.679866 (E_RNA)
where:
Base-Base interactions energy: -194.987
where: short stacking energy: -93.580
Base-Backbone interact. energy: -1.007
local terms energy: -124.686368
where:
bonds (distance) C4'-P energy: -26.680
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -31.980
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -304.546384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.546384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.546384 (E_RNA)
where:
Base-Base interactions energy: -187.436
where: short stacking energy: -81.302
Base-Backbone interact. energy: -0.409
local terms energy: -116.701314
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -34.792
flat angles C4'-P-C4' energy: -29.336
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -555.618965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.618965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.618965 (E_RNA)
where:
Base-Base interactions energy: -369.505
where: short stacking energy: -180.712
Base-Backbone interact. energy: -0.734
local terms energy: -185.379606
where:
bonds (distance) C4'-P energy: -37.570
bonds (distance) P-C4' energy: -34.970
flat angles C4'-P-C4' energy: -32.718
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -56.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -542.024334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.024334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.024334 (E_RNA)
where:
Base-Base interactions energy: -363.107
where: short stacking energy: -173.028
Base-Backbone interact. energy: 2.023
local terms energy: -180.940917
where:
bonds (distance) C4'-P energy: -28.588
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -27.963
tors. eta vs tors. theta energy: -50.662
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: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -545.539107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.539107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.539107 (E_RNA)
where:
Base-Base interactions energy: -358.561
where: short stacking energy: -178.008
Base-Backbone interact. energy: -0.127
local terms energy: -186.850231
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -41.659
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -54.199
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: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -487.441005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.441005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.441005 (E_RNA)
where:
Base-Base interactions energy: -318.308
where: short stacking energy: -147.857
Base-Backbone interact. energy: -0.460
local terms energy: -168.672428
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -32.559
flat angles C4'-P-C4' energy: -34.851
flat angles P-C4'-P energy: -27.361
tors. eta vs tors. theta energy: -39.639
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -502.738126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.738126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.738126 (E_RNA)
where:
Base-Base interactions energy: -327.613
where: short stacking energy: -156.572
Base-Backbone interact. energy: -0.607
local terms energy: -174.517349
where:
bonds (distance) C4'-P energy: -34.697
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -36.869
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -37.929
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: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -382.951938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.951938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.951938 (E_RNA)
where:
Base-Base interactions energy: -243.344
where: short stacking energy: -120.674
Base-Backbone interact. energy: -0.405
local terms energy: -139.202459
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -37.399
flat angles C4'-P-C4' energy: -27.700
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -325.971678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.971678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.971678 (E_RNA)
where:
Base-Base interactions energy: -189.786
where: short stacking energy: -103.413
Base-Backbone interact. energy: -0.651
local terms energy: -135.534024
where:
bonds (distance) C4'-P energy: -36.672
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -33.497
flat angles P-C4'-P energy: -20.420
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: 8, replica: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -323.945146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.945146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.945146 (E_RNA)
where:
Base-Base interactions energy: -208.993
where: short stacking energy: -88.943
Base-Backbone interact. energy: -0.212
local terms energy: -114.739799
where:
bonds (distance) C4'-P energy: -28.577
bonds (distance) P-C4' energy: -38.582
flat angles C4'-P-C4' energy: -28.088
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -309.879164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.879164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.879164 (E_RNA)
where:
Base-Base interactions energy: -183.424
where: short stacking energy: -73.797
Base-Backbone interact. energy: -0.223
local terms energy: -126.231934
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -32.261
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -268.266131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.266131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.266131 (E_RNA)
where:
Base-Base interactions energy: -173.852
where: short stacking energy: -79.355
Base-Backbone interact. energy: -0.329
local terms energy: -94.085412
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -10.526
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: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -561.686531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.686531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.686531 (E_RNA)
where:
Base-Base interactions energy: -375.227
where: short stacking energy: -187.252
Base-Backbone interact. energy: -0.057
local terms energy: -186.402544
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -37.366
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -26.100
tors. eta vs tors. theta energy: -53.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -537.771938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.771938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.771938 (E_RNA)
where:
Base-Base interactions energy: -365.157
where: short stacking energy: -177.283
Base-Backbone interact. energy: -0.493
local terms energy: -172.122137
where:
bonds (distance) C4'-P energy: -29.314
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -35.334
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -48.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -534.379044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.379044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.379044 (E_RNA)
where:
Base-Base interactions energy: -350.803
where: short stacking energy: -170.327
Base-Backbone interact. energy: -0.621
local terms energy: -182.954838
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -35.320
flat angles C4'-P-C4' energy: -35.160
flat angles P-C4'-P energy: -33.330
tors. eta vs tors. theta energy: -49.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -485.465926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.465926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.465926 (E_RNA)
where:
Base-Base interactions energy: -314.819
where: short stacking energy: -142.020
Base-Backbone interact. energy: -0.248
local terms energy: -170.398838
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -36.044
flat angles P-C4'-P energy: -26.602
tors. eta vs tors. theta energy: -37.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -481.522431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.522431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.522431 (E_RNA)
where:
Base-Base interactions energy: -324.742
where: short stacking energy: -144.378
Base-Backbone interact. energy: 1.554
local terms energy: -158.334282
where:
bonds (distance) C4'-P energy: -28.991
bonds (distance) P-C4' energy: -32.046
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: -37.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -375.037502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.037502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.037502 (E_RNA)
where:
Base-Base interactions energy: -245.870
where: short stacking energy: -110.151
Base-Backbone interact. energy: -0.441
local terms energy: -128.726101
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -30.039
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -18.329
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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -322.571526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.571526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.571526 (E_RNA)
where:
Base-Base interactions energy: -199.782
where: short stacking energy: -98.878
Base-Backbone interact. energy: -0.924
local terms energy: -121.866433
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -35.351
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -9.691
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: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -308.425829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.425829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.425829 (E_RNA)
where:
Base-Base interactions energy: -200.856
where: short stacking energy: -88.500
Base-Backbone interact. energy: 5.499
local terms energy: -113.068732
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -32.146
flat angles C4'-P-C4' energy: -27.751
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -9.593
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: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -292.284478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.284478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.284478 (E_RNA)
where:
Base-Base interactions energy: -175.925
where: short stacking energy: -89.701
Base-Backbone interact. energy: -0.150
local terms energy: -116.209747
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -35.823
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -9.276
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: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -290.753024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.753024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.753024 (E_RNA)
where:
Base-Base interactions energy: -171.247
where: short stacking energy: -79.032
Base-Backbone interact. energy: -0.383
local terms energy: -119.122937
where:
bonds (distance) C4'-P energy: -26.614
bonds (distance) P-C4' energy: -32.437
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -11.516
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: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -586.741620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.741620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.741620 (E_RNA)
where:
Base-Base interactions energy: -388.837
where: short stacking energy: -195.930
Base-Backbone interact. energy: -0.464
local terms energy: -197.441108
where:
bonds (distance) C4'-P energy: -38.171
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -40.824
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -57.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -563.030351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.030351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.030351 (E_RNA)
where:
Base-Base interactions energy: -382.699
where: short stacking energy: -178.229
Base-Backbone interact. energy: -0.213
local terms energy: -180.117518
where:
bonds (distance) C4'-P energy: -30.597
bonds (distance) P-C4' energy: -39.132
flat angles C4'-P-C4' energy: -40.803
flat angles P-C4'-P energy: -21.649
tors. eta vs tors. theta energy: -47.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -529.618461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.618461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.618461 (E_RNA)
where:
Base-Base interactions energy: -358.641
where: short stacking energy: -172.562
Base-Backbone interact. energy: -0.469
local terms energy: -170.507864
where:
bonds (distance) C4'-P energy: -29.657
bonds (distance) P-C4' energy: -33.312
flat angles C4'-P-C4' energy: -37.152
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -48.702
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: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -508.809225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.809225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.809225 (E_RNA)
where:
Base-Base interactions energy: -339.027
where: short stacking energy: -160.561
Base-Backbone interact. energy: -0.510
local terms energy: -169.272599
where:
bonds (distance) C4'-P energy: -36.621
bonds (distance) P-C4' energy: -36.108
flat angles C4'-P-C4' energy: -37.633
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -39.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -453.268563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.268563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.268563 (E_RNA)
where:
Base-Base interactions energy: -302.955
where: short stacking energy: -128.030
Base-Backbone interact. energy: -0.830
local terms energy: -149.483951
where:
bonds (distance) C4'-P energy: -38.865
bonds (distance) P-C4' energy: -36.460
flat angles C4'-P-C4' energy: -30.387
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -25.269
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: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -375.030671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.030671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.030671 (E_RNA)
where:
Base-Base interactions energy: -230.654
where: short stacking energy: -107.299
Base-Backbone interact. energy: 0.272
local terms energy: -144.649297
where:
bonds (distance) C4'-P energy: -29.514
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -369.464576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.464576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.464576 (E_RNA)
where:
Base-Base interactions energy: -242.453
where: short stacking energy: -107.526
Base-Backbone interact. energy: -0.542
local terms energy: -126.469399
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -32.851
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -19.736
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -327.094103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.094103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.094103 (E_RNA)
where:
Base-Base interactions energy: -211.632
where: short stacking energy: -115.756
Base-Backbone interact. energy: 2.069
local terms energy: -117.531443
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -27.553
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -22.088
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: 361
Temperature: 1.300000
Total energy: -310.263675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.263675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.263675 (E_RNA)
where:
Base-Base interactions energy: -185.341
where: short stacking energy: -78.134
Base-Backbone interact. energy: -0.730
local terms energy: -124.192342
where:
bonds (distance) C4'-P energy: -30.571
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -13.252
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: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -271.467254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.467254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.467254 (E_RNA)
where:
Base-Base interactions energy: -155.852
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.369
local terms energy: -115.245752
where:
bonds (distance) C4'-P energy: -33.181
bonds (distance) P-C4' energy: -39.071
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -7.842
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: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -589.945554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.945554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.945554 (E_RNA)
where:
Base-Base interactions energy: -397.804
where: short stacking energy: -198.596
Base-Backbone interact. energy: -0.031
local terms energy: -192.110730
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -32.660
flat angles C4'-P-C4' energy: -40.177
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -57.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -560.601553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.601553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.601553 (E_RNA)
where:
Base-Base interactions energy: -370.193
where: short stacking energy: -195.151
Base-Backbone interact. energy: -0.088
local terms energy: -190.320094
where:
bonds (distance) C4'-P energy: -33.968
bonds (distance) P-C4' energy: -38.209
flat angles C4'-P-C4' energy: -39.035
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -55.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -542.214108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.214108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.214108 (E_RNA)
where:
Base-Base interactions energy: -355.911
where: short stacking energy: -164.471
Base-Backbone interact. energy: -0.227
local terms energy: -186.075783
where:
bonds (distance) C4'-P energy: -41.325
bonds (distance) P-C4' energy: -37.258
flat angles C4'-P-C4' energy: -40.743
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -42.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -490.862250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.862250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.862250 (E_RNA)
where:
Base-Base interactions energy: -331.569
where: short stacking energy: -152.612
Base-Backbone interact. energy: -0.538
local terms energy: -158.755479
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -40.688
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -40.273
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: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -465.985774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.985774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.985774 (E_RNA)
where:
Base-Base interactions energy: -311.882
where: short stacking energy: -131.685
Base-Backbone interact. energy: -0.519
local terms energy: -153.585403
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -24.293
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: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -384.165392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.165392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.165392 (E_RNA)
where:
Base-Base interactions energy: -236.568
where: short stacking energy: -119.152
Base-Backbone interact. energy: -0.474
local terms energy: -147.123517
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -374.065496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.065496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.065496 (E_RNA)
where:
Base-Base interactions energy: -228.339
where: short stacking energy: -109.721
Base-Backbone interact. energy: -2.324
local terms energy: -143.402517
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -34.056
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -308.660294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.660294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.660294 (E_RNA)
where:
Base-Base interactions energy: -176.688
where: short stacking energy: -87.469
Base-Backbone interact. energy: -0.181
local terms energy: -131.790783
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -325.807492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.807492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.807492 (E_RNA)
where:
Base-Base interactions energy: -206.913
where: short stacking energy: -103.328
Base-Backbone interact. energy: -0.444
local terms energy: -118.451064
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -33.837
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -314.441051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.441051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.441051 (E_RNA)
where:
Base-Base interactions energy: -210.328
where: short stacking energy: -81.419
Base-Backbone interact. energy: -0.663
local terms energy: -103.450871
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -576.244969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.244969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.244969 (E_RNA)
where:
Base-Base interactions energy: -389.975
where: short stacking energy: -192.494
Base-Backbone interact. energy: -0.384
local terms energy: -185.886263
where:
bonds (distance) C4'-P energy: -34.685
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -34.193
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -57.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -551.931909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.931909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.931909 (E_RNA)
where:
Base-Base interactions energy: -371.855
where: short stacking energy: -175.639
Base-Backbone interact. energy: -0.585
local terms energy: -179.492108
where:
bonds (distance) C4'-P energy: -31.926
bonds (distance) P-C4' energy: -36.835
flat angles C4'-P-C4' energy: -40.551
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -46.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -516.694535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.694535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.694535 (E_RNA)
where:
Base-Base interactions energy: -352.073
where: short stacking energy: -159.911
Base-Backbone interact. energy: -1.017
local terms energy: -163.605070
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -28.626
flat angles C4'-P-C4' energy: -32.339
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -46.027
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: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -490.901490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.901490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.901490 (E_RNA)
where:
Base-Base interactions energy: -330.706
where: short stacking energy: -141.083
Base-Backbone interact. energy: -0.503
local terms energy: -159.692554
where:
bonds (distance) C4'-P energy: -30.590
bonds (distance) P-C4' energy: -34.071
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -39.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -476.425771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.425771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.425771 (E_RNA)
where:
Base-Base interactions energy: -315.855
where: short stacking energy: -128.964
Base-Backbone interact. energy: -1.139
local terms energy: -159.431955
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -27.343
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -37.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -405.848895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.848895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.848895 (E_RNA)
where:
Base-Base interactions energy: -254.553
where: short stacking energy: -112.524
Base-Backbone interact. energy: -0.234
local terms energy: -151.061976
where:
bonds (distance) C4'-P energy: -35.313
bonds (distance) P-C4' energy: -37.871
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -24.630
tors. eta vs tors. theta energy: -26.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -335.971541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.971541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.971541 (E_RNA)
where:
Base-Base interactions energy: -224.405
where: short stacking energy: -101.478
Base-Backbone interact. energy: -0.646
local terms energy: -110.920478
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -28.166
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -16.451
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: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -380.068591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.068591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.068591 (E_RNA)
where:
Base-Base interactions energy: -250.269
where: short stacking energy: -114.315
Base-Backbone interact. energy: -0.547
local terms energy: -129.252416
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -16.978
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: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -298.674648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.674648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.674648 (E_RNA)
where:
Base-Base interactions energy: -171.610
where: short stacking energy: -92.411
Base-Backbone interact. energy: -0.666
local terms energy: -126.398900
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -33.203
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -24.630
tors. eta vs tors. theta energy: -15.005
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: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -305.554131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.554131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.554131 (E_RNA)
where:
Base-Base interactions energy: -191.701
where: short stacking energy: -86.553
Base-Backbone interact. energy: -0.788
local terms energy: -113.065680
where:
bonds (distance) C4'-P energy: -28.436
bonds (distance) P-C4' energy: -28.067
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -546.746521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.746521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.746521 (E_RNA)
where:
Base-Base interactions energy: -360.707
where: short stacking energy: -172.754
Base-Backbone interact. energy: -0.732
local terms energy: -185.307377
where:
bonds (distance) C4'-P energy: -35.380
bonds (distance) P-C4' energy: -32.222
flat angles C4'-P-C4' energy: -41.704
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: -49.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -552.981087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.981087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.981087 (E_RNA)
where:
Base-Base interactions energy: -367.047
where: short stacking energy: -177.323
Base-Backbone interact. energy: -0.105
local terms energy: -185.829505
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -52.166
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: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -517.950071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.950071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.950071 (E_RNA)
where:
Base-Base interactions energy: -353.883
where: short stacking energy: -164.290
Base-Backbone interact. energy: -0.384
local terms energy: -163.682226
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -33.164
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -41.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -490.040722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.040722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.040722 (E_RNA)
where:
Base-Base interactions energy: -326.193
where: short stacking energy: -143.416
Base-Backbone interact. energy: -0.444
local terms energy: -163.403864
where:
bonds (distance) C4'-P energy: -35.321
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -22.829
tors. eta vs tors. theta energy: -35.671
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: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -468.822678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.822678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.822678 (E_RNA)
where:
Base-Base interactions energy: -314.859
where: short stacking energy: -142.806
Base-Backbone interact. energy: -1.207
local terms energy: -152.756441
where:
bonds (distance) C4'-P energy: -35.788
bonds (distance) P-C4' energy: -27.049
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -32.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -423.203733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.203733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.203733 (E_RNA)
where:
Base-Base interactions energy: -270.790
where: short stacking energy: -136.513
Base-Backbone interact. energy: -0.314
local terms energy: -152.100457
where:
bonds (distance) C4'-P energy: -35.941
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -29.386
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -40.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -351.174696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.174696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.174696 (E_RNA)
where:
Base-Base interactions energy: -230.305
where: short stacking energy: -113.562
Base-Backbone interact. energy: -1.265
local terms energy: -119.604417
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -23.355
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: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -336.358871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.358871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.358871 (E_RNA)
where:
Base-Base interactions energy: -224.322
where: short stacking energy: -106.034
Base-Backbone interact. energy: -1.134
local terms energy: -110.903188
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -21.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -338.307661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.307661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.307661 (E_RNA)
where:
Base-Base interactions energy: -214.031
where: short stacking energy: -99.716
Base-Backbone interact. energy: -0.865
local terms energy: -123.410852
where:
bonds (distance) C4'-P energy: -23.494
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -19.090
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -276.776885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.776885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.776885 (E_RNA)
where:
Base-Base interactions energy: -170.369
where: short stacking energy: -88.946
Base-Backbone interact. energy: -0.288
local terms energy: -106.120257
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -30.004
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -564.275624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.275624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.275624 (E_RNA)
where:
Base-Base interactions energy: -373.502
where: short stacking energy: -183.358
Base-Backbone interact. energy: -0.171
local terms energy: -190.602956
where:
bonds (distance) C4'-P energy: -38.627
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -40.794
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -50.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -547.374614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.374614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.374614 (E_RNA)
where:
Base-Base interactions energy: -371.237
where: short stacking energy: -176.838
Base-Backbone interact. energy: -0.077
local terms energy: -176.060398
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -49.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -507.872536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.872536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.872536 (E_RNA)
where:
Base-Base interactions energy: -327.461
where: short stacking energy: -151.787
Base-Backbone interact. energy: -0.353
local terms energy: -180.058710
where:
bonds (distance) C4'-P energy: -40.698
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -38.584
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -483.948775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.948775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.948775 (E_RNA)
where:
Base-Base interactions energy: -334.865
where: short stacking energy: -149.520
Base-Backbone interact. energy: -0.395
local terms energy: -148.688424
where:
bonds (distance) C4'-P energy: -30.494
bonds (distance) P-C4' energy: -33.767
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -30.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -481.124331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.124331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.124331 (E_RNA)
where:
Base-Base interactions energy: -317.971
where: short stacking energy: -151.237
Base-Backbone interact. energy: 1.372
local terms energy: -164.525146
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -34.280
flat angles C4'-P-C4' energy: -41.730
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -37.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -402.732738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.732738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.732738 (E_RNA)
where:
Base-Base interactions energy: -254.667
where: short stacking energy: -121.910
Base-Backbone interact. energy: -0.229
local terms energy: -147.837086
where:
bonds (distance) C4'-P energy: -35.401
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -23.642
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: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -346.771470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.771470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.771470 (E_RNA)
where:
Base-Base interactions energy: -213.489
where: short stacking energy: -101.025
Base-Backbone interact. energy: -0.446
local terms energy: -132.835854
where:
bonds (distance) C4'-P energy: -29.114
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -30.195
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -332.654259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.654259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.654259 (E_RNA)
where:
Base-Base interactions energy: -195.810
where: short stacking energy: -94.547
Base-Backbone interact. energy: -0.427
local terms energy: -136.417527
where:
bonds (distance) C4'-P energy: -36.713
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -32.378
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -295.743933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.743933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.743933 (E_RNA)
where:
Base-Base interactions energy: -177.309
where: short stacking energy: -78.538
Base-Backbone interact. energy: 0.637
local terms energy: -119.071810
where:
bonds (distance) C4'-P energy: -37.074
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -9.041
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: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -231.428917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.428917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.428917 (E_RNA)
where:
Base-Base interactions energy: -115.427
where: short stacking energy: -64.172
Base-Backbone interact. energy: 0.133
local terms energy: -116.135477
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -34.488
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -15.573
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: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -574.055425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.055425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.055425 (E_RNA)
where:
Base-Base interactions energy: -386.938
where: short stacking energy: -190.684
Base-Backbone interact. energy: -0.042
local terms energy: -187.075218
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -35.360
flat angles C4'-P-C4' energy: -38.264
flat angles P-C4'-P energy: -27.040
tors. eta vs tors. theta energy: -51.983
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: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -547.006151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.006151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.006151 (E_RNA)
where:
Base-Base interactions energy: -365.252
where: short stacking energy: -176.081
Base-Backbone interact. energy: -0.015
local terms energy: -181.739184
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -38.410
flat angles C4'-P-C4' energy: -35.624
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -47.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -500.284017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.284017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.284017 (E_RNA)
where:
Base-Base interactions energy: -343.217
where: short stacking energy: -156.535
Base-Backbone interact. energy: -1.022
local terms energy: -156.044922
where:
bonds (distance) C4'-P energy: -24.886
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -36.773
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -38.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -505.829868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.829868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.829868 (E_RNA)
where:
Base-Base interactions energy: -336.669
where: short stacking energy: -160.410
Base-Backbone interact. energy: -0.206
local terms energy: -168.954880
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -38.800
flat angles C4'-P-C4' energy: -27.311
flat angles P-C4'-P energy: -26.364
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -471.584054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.584054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.584054 (E_RNA)
where:
Base-Base interactions energy: -320.266
where: short stacking energy: -149.519
Base-Backbone interact. energy: -0.009
local terms energy: -151.309493
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -30.402
flat angles C4'-P-C4' energy: -38.010
flat angles P-C4'-P energy: -19.401
tors. eta vs tors. theta energy: -38.007
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: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -421.690900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.690900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.690900 (E_RNA)
where:
Base-Base interactions energy: -275.072
where: short stacking energy: -123.843
Base-Backbone interact. energy: -0.448
local terms energy: -146.171058
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -35.569
flat angles P-C4'-P energy: -20.817
tors. eta vs tors. theta energy: -26.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -349.900128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.900128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.900128 (E_RNA)
where:
Base-Base interactions energy: -214.345
where: short stacking energy: -107.030
Base-Backbone interact. energy: 0.936
local terms energy: -136.491615
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -20.065
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: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -324.846757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.846757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.846757 (E_RNA)
where:
Base-Base interactions energy: -192.326
where: short stacking energy: -89.466
Base-Backbone interact. energy: 1.356
local terms energy: -133.876342
where:
bonds (distance) C4'-P energy: -35.580
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -19.409
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -309.708401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.708401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.708401 (E_RNA)
where:
Base-Base interactions energy: -198.261
where: short stacking energy: -101.849
Base-Backbone interact. energy: 0.795
local terms energy: -112.242385
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -25.179
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -223.260639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.260639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.260639 (E_RNA)
where:
Base-Base interactions energy: -110.938
where: short stacking energy: -67.643
Base-Backbone interact. energy: -0.518
local terms energy: -111.805445
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -8.853
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: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -576.738182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.738182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.738182 (E_RNA)
where:
Base-Base interactions energy: -386.814
where: short stacking energy: -190.218
Base-Backbone interact. energy: -1.910
local terms energy: -188.014121
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -39.706
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -54.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -562.126456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.126456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.126456 (E_RNA)
where:
Base-Base interactions energy: -373.826
where: short stacking energy: -177.925
Base-Backbone interact. energy: -0.141
local terms energy: -188.159568
where:
bonds (distance) C4'-P energy: -31.719
bonds (distance) P-C4' energy: -37.031
flat angles C4'-P-C4' energy: -36.760
flat angles P-C4'-P energy: -29.509
tors. eta vs tors. theta energy: -53.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -522.761457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.761457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.761457 (E_RNA)
where:
Base-Base interactions energy: -351.266
where: short stacking energy: -167.527
Base-Backbone interact. energy: 1.168
local terms energy: -172.663572
where:
bonds (distance) C4'-P energy: -34.685
bonds (distance) P-C4' energy: -32.472
flat angles C4'-P-C4' energy: -34.954
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: -43.636
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: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -508.021732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.021732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.021732 (E_RNA)
where:
Base-Base interactions energy: -337.836
where: short stacking energy: -154.346
Base-Backbone interact. energy: 0.857
local terms energy: -171.043634
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -40.530
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -48.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -485.520078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.520078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.520078 (E_RNA)
where:
Base-Base interactions energy: -321.827
where: short stacking energy: -147.494
Base-Backbone interact. energy: -0.408
local terms energy: -163.285357
where:
bonds (distance) C4'-P energy: -31.613
bonds (distance) P-C4' energy: -31.014
flat angles C4'-P-C4' energy: -32.754
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -42.347
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: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -442.877258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.877258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.877258 (E_RNA)
where:
Base-Base interactions energy: -290.932
where: short stacking energy: -148.098
Base-Backbone interact. energy: -0.612
local terms energy: -151.332882
where:
bonds (distance) C4'-P energy: -34.456
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -37.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -348.310378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.310378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.310378 (E_RNA)
where:
Base-Base interactions energy: -217.165
where: short stacking energy: -104.487
Base-Backbone interact. energy: 0.004
local terms energy: -131.149015
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -32.658
flat angles C4'-P-C4' energy: -31.851
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -25.988
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: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -341.699105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.699105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.699105 (E_RNA)
where:
Base-Base interactions energy: -216.717
where: short stacking energy: -99.090
Base-Backbone interact. energy: -0.281
local terms energy: -124.701562
where:
bonds (distance) C4'-P energy: -24.929
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -17.496
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: 367
Temperature: 1.300000
Total energy: -317.419658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.419658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.419658 (E_RNA)
where:
Base-Base interactions energy: -203.870
where: short stacking energy: -100.658
Base-Backbone interact. energy: -1.541
local terms energy: -112.008206
where:
bonds (distance) C4'-P energy: -27.810
bonds (distance) P-C4' energy: -26.723
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -231.864928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.864928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.864928 (E_RNA)
where:
Base-Base interactions energy: -116.349
where: short stacking energy: -65.924
Base-Backbone interact. energy: -0.609
local terms energy: -114.906401
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -8.768
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: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -567.910444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.910444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.910444 (E_RNA)
where:
Base-Base interactions energy: -378.619
where: short stacking energy: -177.455
Base-Backbone interact. energy: -0.085
local terms energy: -189.206432
where:
bonds (distance) C4'-P energy: -33.468
bonds (distance) P-C4' energy: -39.251
flat angles C4'-P-C4' energy: -36.367
flat angles P-C4'-P energy: -29.135
tors. eta vs tors. theta energy: -50.985
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: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -542.284246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.284246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.284246 (E_RNA)
where:
Base-Base interactions energy: -368.022
where: short stacking energy: -169.514
Base-Backbone interact. energy: -0.255
local terms energy: -174.007115
where:
bonds (distance) C4'-P energy: -29.376
bonds (distance) P-C4' energy: -36.785
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -24.117
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: 368
Temperature: 1.000000
Total energy: -525.513317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.513317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.513317 (E_RNA)
where:
Base-Base interactions energy: -345.926
where: short stacking energy: -152.963
Base-Backbone interact. energy: 0.333
local terms energy: -179.920474
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -40.180
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: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -503.844959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.844959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.844959 (E_RNA)
where:
Base-Base interactions energy: -330.194
where: short stacking energy: -157.499
Base-Backbone interact. energy: -0.472
local terms energy: -173.178823
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -46.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -484.734931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.734931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.734931 (E_RNA)
where:
Base-Base interactions energy: -333.049
where: short stacking energy: -157.887
Base-Backbone interact. energy: -1.888
local terms energy: -149.797854
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -30.811
flat angles P-C4'-P energy: -20.707
tors. eta vs tors. theta energy: -40.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -444.960326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.960326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.960326 (E_RNA)
where:
Base-Base interactions energy: -285.916
where: short stacking energy: -139.138
Base-Backbone interact. energy: -0.449
local terms energy: -158.595585
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -33.251
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -38.128
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: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -374.383884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.383884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.383884 (E_RNA)
where:
Base-Base interactions energy: -227.747
where: short stacking energy: -125.048
Base-Backbone interact. energy: -0.370
local terms energy: -146.266637
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -32.840
flat angles C4'-P-C4' energy: -38.651
flat angles P-C4'-P energy: -11.920
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: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -327.110955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.110955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.110955 (E_RNA)
where:
Base-Base interactions energy: -198.596
where: short stacking energy: -101.762
Base-Backbone interact. energy: -0.386
local terms energy: -128.128810
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -38.696
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -302.706346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.706346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.706346 (E_RNA)
where:
Base-Base interactions energy: -190.341
where: short stacking energy: -91.172
Base-Backbone interact. energy: 0.986
local terms energy: -113.351418
where:
bonds (distance) C4'-P energy: -29.610
bonds (distance) P-C4' energy: -26.762
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -226.961906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.961906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.961906 (E_RNA)
where:
Base-Base interactions energy: -116.804
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.198
local terms energy: -109.959700
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -33.473
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -8.439
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: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -575.704072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.704072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.704072 (E_RNA)
where:
Base-Base interactions energy: -385.660
where: short stacking energy: -193.510
Base-Backbone interact. energy: -0.220
local terms energy: -189.823836
where:
bonds (distance) C4'-P energy: -37.457
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -41.818
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -52.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -559.591915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.591915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.591915 (E_RNA)
where:
Base-Base interactions energy: -386.042
where: short stacking energy: -184.553
Base-Backbone interact. energy: -0.137
local terms energy: -173.412872
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -34.049
flat angles P-C4'-P energy: -28.391
tors. eta vs tors. theta energy: -51.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -507.437707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.437707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.437707 (E_RNA)
where:
Base-Base interactions energy: -342.710
where: short stacking energy: -159.612
Base-Backbone interact. energy: -0.374
local terms energy: -164.354057
where:
bonds (distance) C4'-P energy: -30.150
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -510.858154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.858154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.858154 (E_RNA)
where:
Base-Base interactions energy: -344.349
where: short stacking energy: -153.204
Base-Backbone interact. energy: -0.338
local terms energy: -166.170873
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -26.429
tors. eta vs tors. theta energy: -39.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -464.127180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.127180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.127180 (E_RNA)
where:
Base-Base interactions energy: -303.328
where: short stacking energy: -142.449
Base-Backbone interact. energy: 0.412
local terms energy: -161.210946
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -39.233
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -35.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -414.590123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.590123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.590123 (E_RNA)
where:
Base-Base interactions energy: -264.352
where: short stacking energy: -137.247
Base-Backbone interact. energy: 3.364
local terms energy: -153.601451
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -38.687
flat angles C4'-P-C4' energy: -26.993
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -39.199
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: 369
Temperature: 1.200000
Total energy: -359.813714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.813714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.813714 (E_RNA)
where:
Base-Base interactions energy: -214.500
where: short stacking energy: -98.237
Base-Backbone interact. energy: -1.073
local terms energy: -144.240301
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -36.832
flat angles C4'-P-C4' energy: -33.967
flat angles P-C4'-P energy: -25.564
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -348.147968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.147968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.147968 (E_RNA)
where:
Base-Base interactions energy: -214.490
where: short stacking energy: -107.635
Base-Backbone interact. energy: 0.007
local terms energy: -133.664533
where:
bonds (distance) C4'-P energy: -30.460
bonds (distance) P-C4' energy: -30.827
flat angles C4'-P-C4' energy: -40.752
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -234.877144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.877144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.877144 (E_RNA)
where:
Base-Base interactions energy: -108.461
where: short stacking energy: -56.882
Base-Backbone interact. energy: -0.656
local terms energy: -125.760051
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -33.433
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -23.196
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -231.661234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.661234 (E_RNA)
where:
Base-Base interactions energy: -123.193
where: short stacking energy: -78.756
Base-Backbone interact. energy: -0.184
local terms energy: -108.284474
where:
bonds (distance) C4'-P energy: -28.819
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -13.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -575.990096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.990096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.990096 (E_RNA)
where:
Base-Base interactions energy: -392.609
where: short stacking energy: -186.127
Base-Backbone interact. energy: -0.388
local terms energy: -182.993060
where:
bonds (distance) C4'-P energy: -27.632
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -40.306
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -53.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -553.300414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.300414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.300414 (E_RNA)
where:
Base-Base interactions energy: -365.985
where: short stacking energy: -175.572
Base-Backbone interact. energy: -0.015
local terms energy: -187.300686
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -36.733
flat angles C4'-P-C4' energy: -41.377
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -52.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -503.996624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.996624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.996624 (E_RNA)
where:
Base-Base interactions energy: -336.573
where: short stacking energy: -161.891
Base-Backbone interact. energy: 0.383
local terms energy: -167.806720
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -33.918
flat angles C4'-P-C4' energy: -37.817
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -36.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -504.591627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.591627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.591627 (E_RNA)
where:
Base-Base interactions energy: -344.674
where: short stacking energy: -161.118
Base-Backbone interact. energy: -0.737
local terms energy: -159.179809
where:
bonds (distance) C4'-P energy: -34.220
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -45.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -470.806195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.806195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.806195 (E_RNA)
where:
Base-Base interactions energy: -320.796
where: short stacking energy: -137.562
Base-Backbone interact. energy: -0.459
local terms energy: -149.551379
where:
bonds (distance) C4'-P energy: -30.172
bonds (distance) P-C4' energy: -32.632
flat angles C4'-P-C4' energy: -34.545
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -30.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -407.585090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.585090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.585090 (E_RNA)
where:
Base-Base interactions energy: -263.499
where: short stacking energy: -135.789
Base-Backbone interact. energy: -0.360
local terms energy: -143.726133
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -33.781
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: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -372.527059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.527059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.527059 (E_RNA)
where:
Base-Base interactions energy: -234.815
where: short stacking energy: -106.164
Base-Backbone interact. energy: -0.836
local terms energy: -136.875238
where:
bonds (distance) C4'-P energy: -34.945
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -22.777
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: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -350.934837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.934837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.934837 (E_RNA)
where:
Base-Base interactions energy: -220.564
where: short stacking energy: -116.669
Base-Backbone interact. energy: -0.146
local terms energy: -130.225302
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -20.325
tors. eta vs tors. theta energy: -28.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -248.627250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.627250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.627250 (E_RNA)
where:
Base-Base interactions energy: -131.922
where: short stacking energy: -78.354
Base-Backbone interact. energy: -0.807
local terms energy: -115.898665
where:
bonds (distance) C4'-P energy: -28.041
bonds (distance) P-C4' energy: -23.991
flat angles C4'-P-C4' energy: -26.620
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -223.847650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.847650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.847650 (E_RNA)
where:
Base-Base interactions energy: -113.082
where: short stacking energy: -70.298
Base-Backbone interact. energy: 0.104
local terms energy: -110.869960
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -31.256
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -593.039348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.039348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.039348 (E_RNA)
where:
Base-Base interactions energy: -384.376
where: short stacking energy: -193.462
Base-Backbone interact. energy: -0.049
local terms energy: -208.614732
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -43.035
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: -56.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -555.994611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.994611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.994611 (E_RNA)
where:
Base-Base interactions energy: -381.317
where: short stacking energy: -192.576
Base-Backbone interact. energy: -0.058
local terms energy: -174.619586
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -38.216
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -54.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -498.555712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.555712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.555712 (E_RNA)
where:
Base-Base interactions energy: -321.271
where: short stacking energy: -157.167
Base-Backbone interact. energy: 1.655
local terms energy: -178.940239
where:
bonds (distance) C4'-P energy: -33.214
bonds (distance) P-C4' energy: -39.628
flat angles C4'-P-C4' energy: -39.488
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -46.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -524.137195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.137195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.137195 (E_RNA)
where:
Base-Base interactions energy: -354.917
where: short stacking energy: -164.539
Base-Backbone interact. energy: -0.510
local terms energy: -168.709804
where:
bonds (distance) C4'-P energy: -34.714
bonds (distance) P-C4' energy: -33.603
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -47.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -472.124116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.124116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.124116 (E_RNA)
where:
Base-Base interactions energy: -316.452
where: short stacking energy: -145.590
Base-Backbone interact. energy: -0.305
local terms energy: -155.366862
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -29.637
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -25.593
tors. eta vs tors. theta energy: -40.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -383.902893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.902893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.902893 (E_RNA)
where:
Base-Base interactions energy: -236.687
where: short stacking energy: -102.455
Base-Backbone interact. energy: -0.256
local terms energy: -146.959597
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -36.425
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -362.279186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.279186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.279186 (E_RNA)
where:
Base-Base interactions energy: -227.746
where: short stacking energy: -107.690
Base-Backbone interact. energy: -0.142
local terms energy: -134.391067
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -38.043
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -23.553
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: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -322.972033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.972033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.972033 (E_RNA)
where:
Base-Base interactions energy: -181.269
where: short stacking energy: -90.603
Base-Backbone interact. energy: 0.350
local terms energy: -142.053595
where:
bonds (distance) C4'-P energy: -37.611
bonds (distance) P-C4' energy: -35.397
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -17.816
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: 371
Temperature: 1.300000
Total energy: -224.080956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.080956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.080956 (E_RNA)
where:
Base-Base interactions energy: -129.746
where: short stacking energy: -74.405
Base-Backbone interact. energy: -0.074
local terms energy: -94.260286
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -32.401
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -229.666690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.666690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.666690 (E_RNA)
where:
Base-Base interactions energy: -130.098
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.235
local terms energy: -99.334327
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -591.382500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.382500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.382500 (E_RNA)
where:
Base-Base interactions energy: -402.994
where: short stacking energy: -199.171
Base-Backbone interact. energy: -0.008
local terms energy: -188.381229
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -35.637
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: -54.613
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: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -560.783432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.783432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.783432 (E_RNA)
where:
Base-Base interactions energy: -374.200
where: short stacking energy: -176.063
Base-Backbone interact. energy: -0.054
local terms energy: -186.530056
where:
bonds (distance) C4'-P energy: -35.346
bonds (distance) P-C4' energy: -36.169
flat angles C4'-P-C4' energy: -37.052
flat angles P-C4'-P energy: -26.124
tors. eta vs tors. theta energy: -51.839
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: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -507.290367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.290367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.290367 (E_RNA)
where:
Base-Base interactions energy: -343.904
where: short stacking energy: -158.668
Base-Backbone interact. energy: -0.002
local terms energy: -163.383822
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -21.215
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: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -498.182173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.182173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.182173 (E_RNA)
where:
Base-Base interactions energy: -331.658
where: short stacking energy: -165.548
Base-Backbone interact. energy: -2.537
local terms energy: -163.986915
where:
bonds (distance) C4'-P energy: -30.680
bonds (distance) P-C4' energy: -31.170
flat angles C4'-P-C4' energy: -35.468
flat angles P-C4'-P energy: -19.134
tors. eta vs tors. theta energy: -47.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -459.658899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.658899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.658899 (E_RNA)
where:
Base-Base interactions energy: -302.141
where: short stacking energy: -149.854
Base-Backbone interact. energy: -0.542
local terms energy: -156.976063
where:
bonds (distance) C4'-P energy: -38.066
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -36.343
flat angles P-C4'-P energy: -22.597
tors. eta vs tors. theta energy: -37.272
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: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -347.268459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.268459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.268459 (E_RNA)
where:
Base-Base interactions energy: -218.836
where: short stacking energy: -117.920
Base-Backbone interact. energy: -0.253
local terms energy: -128.179821
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -20.426
tors. eta vs tors. theta energy: -25.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -322.106973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.106973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.106973 (E_RNA)
where:
Base-Base interactions energy: -194.916
where: short stacking energy: -102.391
Base-Backbone interact. energy: -0.358
local terms energy: -126.832774
where:
bonds (distance) C4'-P energy: -32.680
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -35.189
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -339.373006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.373006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.373006 (E_RNA)
where:
Base-Base interactions energy: -205.932
where: short stacking energy: -94.734
Base-Backbone interact. energy: -0.407
local terms energy: -133.034179
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -30.356
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -253.509324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.509324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.509324 (E_RNA)
where:
Base-Base interactions energy: -144.328
where: short stacking energy: -65.685
Base-Backbone interact. energy: -1.174
local terms energy: -108.007862
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -32.689
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -18.906
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -230.327574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.327574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.327574 (E_RNA)
where:
Base-Base interactions energy: -135.123
where: short stacking energy: -74.473
Base-Backbone interact. energy: 1.759
local terms energy: -96.963469
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -567.536682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.536682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.536682 (E_RNA)
where:
Base-Base interactions energy: -387.773
where: short stacking energy: -187.883
Base-Backbone interact. energy: -0.110
local terms energy: -179.652884
where:
bonds (distance) C4'-P energy: -37.504
bonds (distance) P-C4' energy: -31.537
flat angles C4'-P-C4' energy: -36.736
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -52.634
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: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -555.976841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.976841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.976841 (E_RNA)
where:
Base-Base interactions energy: -372.590
where: short stacking energy: -187.920
Base-Backbone interact. energy: -0.106
local terms energy: -183.279999
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -35.205
flat angles C4'-P-C4' energy: -35.016
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -55.524
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: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -519.109954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.109954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.109954 (E_RNA)
where:
Base-Base interactions energy: -358.074
where: short stacking energy: -162.447
Base-Backbone interact. energy: 0.967
local terms energy: -162.003136
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -35.248
flat angles P-C4'-P energy: -27.407
tors. eta vs tors. theta energy: -36.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -500.848993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.848993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.848993 (E_RNA)
where:
Base-Base interactions energy: -334.150
where: short stacking energy: -159.639
Base-Backbone interact. energy: -2.218
local terms energy: -164.481060
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -33.543
flat angles C4'-P-C4' energy: -38.217
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -42.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -466.171711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.171711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.171711 (E_RNA)
where:
Base-Base interactions energy: -308.029
where: short stacking energy: -130.787
Base-Backbone interact. energy: -0.324
local terms energy: -157.818802
where:
bonds (distance) C4'-P energy: -31.737
bonds (distance) P-C4' energy: -34.264
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -32.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -352.364878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.364878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.364878 (E_RNA)
where:
Base-Base interactions energy: -214.599
where: short stacking energy: -124.821
Base-Backbone interact. energy: -1.179
local terms energy: -136.587427
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -32.535
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -30.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -344.909815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.909815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.909815 (E_RNA)
where:
Base-Base interactions energy: -216.115
where: short stacking energy: -95.490
Base-Backbone interact. energy: -0.429
local terms energy: -128.366096
where:
bonds (distance) C4'-P energy: -34.116
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -35.300
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -342.332994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.332994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.332994 (E_RNA)
where:
Base-Base interactions energy: -216.712
where: short stacking energy: -105.403
Base-Backbone interact. energy: 0.681
local terms energy: -126.301755
where:
bonds (distance) C4'-P energy: -34.959
bonds (distance) P-C4' energy: -29.618
flat angles C4'-P-C4' energy: -25.007
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -224.217726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.217726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.217726 (E_RNA)
where:
Base-Base interactions energy: -124.944
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.432
local terms energy: -98.841660
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -238.568085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.568085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.568085 (E_RNA)
where:
Base-Base interactions energy: -141.782
where: short stacking energy: -78.294
Base-Backbone interact. energy: 1.232
local terms energy: -98.017687
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -27.604
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -20.661
tors. eta vs tors. theta energy: -13.655
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: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -575.142561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.142561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.142561 (E_RNA)
where:
Base-Base interactions energy: -378.575
where: short stacking energy: -193.412
Base-Backbone interact. energy: -0.031
local terms energy: -196.536378
where:
bonds (distance) C4'-P energy: -34.072
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -41.180
flat angles P-C4'-P energy: -26.156
tors. eta vs tors. theta energy: -57.633
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: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -573.000706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.000706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.000706 (E_RNA)
where:
Base-Base interactions energy: -399.495
where: short stacking energy: -196.805
Base-Backbone interact. energy: -0.073
local terms energy: -173.431987
where:
bonds (distance) C4'-P energy: -27.951
bonds (distance) P-C4' energy: -34.940
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -53.166
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: 374
Temperature: 1.000000
Total energy: -497.759349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.759349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.759349 (E_RNA)
where:
Base-Base interactions energy: -333.524
where: short stacking energy: -148.819
Base-Backbone interact. energy: -0.846
local terms energy: -163.389183
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -33.882
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -23.291
tors. eta vs tors. theta energy: -38.304
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: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -512.744018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.744018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.744018 (E_RNA)
where:
Base-Base interactions energy: -333.173
where: short stacking energy: -167.594
Base-Backbone interact. energy: -1.070
local terms energy: -178.501060
where:
bonds (distance) C4'-P energy: -33.095
bonds (distance) P-C4' energy: -35.851
flat angles C4'-P-C4' energy: -39.565
flat angles P-C4'-P energy: -22.031
tors. eta vs tors. theta energy: -47.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -479.573250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.573250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.573250 (E_RNA)
where:
Base-Base interactions energy: -318.605
where: short stacking energy: -150.992
Base-Backbone interact. energy: -0.265
local terms energy: -160.703108
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -35.606
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -22.634
tors. eta vs tors. theta energy: -35.681
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: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -364.285238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.285238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.285238 (E_RNA)
where:
Base-Base interactions energy: -226.716
where: short stacking energy: -114.599
Base-Backbone interact. energy: -0.808
local terms energy: -136.761516
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -32.134
flat angles C4'-P-C4' energy: -35.292
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -386.477927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.477927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.477927 (E_RNA)
where:
Base-Base interactions energy: -257.425
where: short stacking energy: -118.861
Base-Backbone interact. energy: -0.196
local terms energy: -128.856099
where:
bonds (distance) C4'-P energy: -30.072
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -25.220
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: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -324.427845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.427845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.427845 (E_RNA)
where:
Base-Base interactions energy: -209.551
where: short stacking energy: -106.814
Base-Backbone interact. energy: -1.195
local terms energy: -113.682420
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -36.579
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -261.200434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.200434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.200434 (E_RNA)
where:
Base-Base interactions energy: -135.034
where: short stacking energy: -71.900
Base-Backbone interact. energy: 0.012
local terms energy: -126.177987
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -40.498
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -11.420
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: 374
Temperature: 1.350000
Total energy: -236.038987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.038987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.038987 (E_RNA)
where:
Base-Base interactions energy: -127.408
where: short stacking energy: -75.494
Base-Backbone interact. energy: 2.634
local terms energy: -111.264400
where:
bonds (distance) C4'-P energy: -26.519
bonds (distance) P-C4' energy: -33.778
flat angles C4'-P-C4' energy: -28.745
flat angles P-C4'-P energy: -15.822
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: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -573.460753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.460753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.460753 (E_RNA)
where:
Base-Base interactions energy: -380.152
where: short stacking energy: -191.251
Base-Backbone interact. energy: -0.041
local terms energy: -193.268481
where:
bonds (distance) C4'-P energy: -34.014
bonds (distance) P-C4' energy: -38.731
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -55.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -559.936871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.936871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.936871 (E_RNA)
where:
Base-Base interactions energy: -372.372
where: short stacking energy: -171.849
Base-Backbone interact. energy: 0.660
local terms energy: -188.225605
where:
bonds (distance) C4'-P energy: -27.844
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -38.928
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -53.025
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: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -510.608032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.608032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.608032 (E_RNA)
where:
Base-Base interactions energy: -343.493
where: short stacking energy: -157.365
Base-Backbone interact. energy: -0.287
local terms energy: -166.828073
where:
bonds (distance) C4'-P energy: -27.896
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -41.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -516.174860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.174860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.174860 (E_RNA)
where:
Base-Base interactions energy: -355.406
where: short stacking energy: -172.566
Base-Backbone interact. energy: -0.870
local terms energy: -159.899670
where:
bonds (distance) C4'-P energy: -32.080
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -35.955
flat angles P-C4'-P energy: -19.306
tors. eta vs tors. theta energy: -47.394
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: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -476.356194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.356194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.356194 (E_RNA)
where:
Base-Base interactions energy: -310.543
where: short stacking energy: -150.995
Base-Backbone interact. energy: 0.837
local terms energy: -166.650656
where:
bonds (distance) C4'-P energy: -37.100
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -42.295
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -40.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -360.240672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.240672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.240672 (E_RNA)
where:
Base-Base interactions energy: -227.619
where: short stacking energy: -115.642
Base-Backbone interact. energy: -0.361
local terms energy: -132.260274
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -32.281
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -27.695
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: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -368.891955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.891955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.891955 (E_RNA)
where:
Base-Base interactions energy: -235.862
where: short stacking energy: -120.425
Base-Backbone interact. energy: -0.285
local terms energy: -132.744492
where:
bonds (distance) C4'-P energy: -35.007
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -26.387
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -24.572
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: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -279.605739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.605739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.605739 (E_RNA)
where:
Base-Base interactions energy: -181.394
where: short stacking energy: -86.342
Base-Backbone interact. energy: -0.400
local terms energy: -97.812014
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -4.859
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: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -327.302163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.302163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.302163 (E_RNA)
where:
Base-Base interactions energy: -206.764
where: short stacking energy: -104.733
Base-Backbone interact. energy: 0.736
local terms energy: -121.273757
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -32.704
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: -22.819
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: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -227.308442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.308442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.308442 (E_RNA)
where:
Base-Base interactions energy: -120.020
where: short stacking energy: -76.328
Base-Backbone interact. energy: 3.348
local terms energy: -110.635498
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -576.016228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.016228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.016228 (E_RNA)
where:
Base-Base interactions energy: -374.419
where: short stacking energy: -184.938
Base-Backbone interact. energy: -0.318
local terms energy: -201.278668
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -40.141
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: -57.393
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: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -564.959042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.959042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.959042 (E_RNA)
where:
Base-Base interactions energy: -373.649
where: short stacking energy: -192.935
Base-Backbone interact. energy: -0.064
local terms energy: -191.246574
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -37.640
flat angles C4'-P-C4' energy: -38.903
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -56.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -487.620599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.620599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.620599 (E_RNA)
where:
Base-Base interactions energy: -330.562
where: short stacking energy: -158.410
Base-Backbone interact. energy: -0.097
local terms energy: -156.961528
where:
bonds (distance) C4'-P energy: -33.904
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -18.831
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: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -482.127834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.127834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.127834 (E_RNA)
where:
Base-Base interactions energy: -338.650
where: short stacking energy: -143.187
Base-Backbone interact. energy: -1.020
local terms energy: -142.457649
where:
bonds (distance) C4'-P energy: -24.281
bonds (distance) P-C4' energy: -29.831
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -22.552
tors. eta vs tors. theta energy: -35.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -450.090437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.090437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.090437 (E_RNA)
where:
Base-Base interactions energy: -296.155
where: short stacking energy: -140.437
Base-Backbone interact. energy: -0.249
local terms energy: -153.685713
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -40.158
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -35.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -341.890452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.890452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.890452 (E_RNA)
where:
Base-Base interactions energy: -198.781
where: short stacking energy: -106.457
Base-Backbone interact. energy: -0.277
local terms energy: -142.831839
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -33.953
flat angles C4'-P-C4' energy: -34.314
flat angles P-C4'-P energy: -24.390
tors. eta vs tors. theta energy: -23.376
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: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -366.200107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.200107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.200107 (E_RNA)
where:
Base-Base interactions energy: -230.580
where: short stacking energy: -118.840
Base-Backbone interact. energy: 0.931
local terms energy: -136.551738
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -26.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -288.276450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.276450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.276450 (E_RNA)
where:
Base-Base interactions energy: -167.084
where: short stacking energy: -85.220
Base-Backbone interact. energy: -0.405
local terms energy: -120.786776
where:
bonds (distance) C4'-P energy: -27.607
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -10.788
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: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -333.435687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.435687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.435687 (E_RNA)
where:
Base-Base interactions energy: -211.869
where: short stacking energy: -95.067
Base-Backbone interact. energy: 1.339
local terms energy: -122.905915
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -31.020
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -209.800809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.800809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.800809 (E_RNA)
where:
Base-Base interactions energy: -114.310
where: short stacking energy: -54.242
Base-Backbone interact. energy: 1.879
local terms energy: -97.369683
where:
bonds (distance) C4'-P energy: -32.456
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -0.092
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: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -572.998674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.998674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.998674 (E_RNA)
where:
Base-Base interactions energy: -383.069
where: short stacking energy: -191.111
Base-Backbone interact. energy: -0.011
local terms energy: -189.919003
where:
bonds (distance) C4'-P energy: -35.003
bonds (distance) P-C4' energy: -34.321
flat angles C4'-P-C4' energy: -40.312
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -55.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -541.675201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.675201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.675201 (E_RNA)
where:
Base-Base interactions energy: -361.473
where: short stacking energy: -173.772
Base-Backbone interact. energy: -0.618
local terms energy: -179.584429
where:
bonds (distance) C4'-P energy: -35.427
bonds (distance) P-C4' energy: -29.904
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -26.653
tors. eta vs tors. theta energy: -49.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -528.012442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.012442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.012442 (E_RNA)
where:
Base-Base interactions energy: -362.217
where: short stacking energy: -178.105
Base-Backbone interact. energy: -0.068
local terms energy: -165.727296
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -28.309
tors. eta vs tors. theta energy: -43.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -491.218198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.218198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.218198 (E_RNA)
where:
Base-Base interactions energy: -335.797
where: short stacking energy: -153.235
Base-Backbone interact. energy: 0.484
local terms energy: -155.905237
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -35.652
flat angles C4'-P-C4' energy: -35.223
flat angles P-C4'-P energy: -22.024
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: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -478.706550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.706550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.706550 (E_RNA)
where:
Base-Base interactions energy: -321.921
where: short stacking energy: -157.747
Base-Backbone interact. energy: -0.284
local terms energy: -156.501530
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -31.305
flat angles C4'-P-C4' energy: -35.381
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -38.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -392.986843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.986843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.986843 (E_RNA)
where:
Base-Base interactions energy: -253.990
where: short stacking energy: -128.925
Base-Backbone interact. energy: -0.247
local terms energy: -138.749765
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -24.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -342.342653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.342653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.342653 (E_RNA)
where:
Base-Base interactions energy: -223.631
where: short stacking energy: -113.935
Base-Backbone interact. energy: 2.448
local terms energy: -121.158961
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -345.906506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.906506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.906506 (E_RNA)
where:
Base-Base interactions energy: -211.272
where: short stacking energy: -106.804
Base-Backbone interact. energy: -0.626
local terms energy: -134.008633
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -279.920926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.920926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.920926 (E_RNA)
where:
Base-Base interactions energy: -152.022
where: short stacking energy: -76.432
Base-Backbone interact. energy: -1.030
local terms energy: -126.868274
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -35.878
flat angles C4'-P-C4' energy: -29.645
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -9.645
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: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -217.459742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.459742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.459742 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -65.826
Base-Backbone interact. energy: 6.898
local terms energy: -106.540337
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -564.106070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.106070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.106070 (E_RNA)
where:
Base-Base interactions energy: -372.914
where: short stacking energy: -187.633
Base-Backbone interact. energy: -0.037
local terms energy: -191.155495
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: -55.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -540.631718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.631718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.631718 (E_RNA)
where:
Base-Base interactions energy: -364.058
where: short stacking energy: -180.887
Base-Backbone interact. energy: -0.802
local terms energy: -175.771628
where:
bonds (distance) C4'-P energy: -30.570
bonds (distance) P-C4' energy: -37.372
flat angles C4'-P-C4' energy: -39.744
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -48.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -516.402478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.402478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.402478 (E_RNA)
where:
Base-Base interactions energy: -350.273
where: short stacking energy: -155.083
Base-Backbone interact. energy: 1.880
local terms energy: -168.010165
where:
bonds (distance) C4'-P energy: -37.047
bonds (distance) P-C4' energy: -33.889
flat angles C4'-P-C4' energy: -35.184
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -40.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -504.316669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.316669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.316669 (E_RNA)
where:
Base-Base interactions energy: -338.892
where: short stacking energy: -156.780
Base-Backbone interact. energy: -0.546
local terms energy: -164.878529
where:
bonds (distance) C4'-P energy: -33.694
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -43.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -489.986878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.986878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.986878 (E_RNA)
where:
Base-Base interactions energy: -339.231
where: short stacking energy: -153.517
Base-Backbone interact. energy: -0.246
local terms energy: -150.509826
where:
bonds (distance) C4'-P energy: -29.664
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -34.798
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -40.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -401.294980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.294980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.294980 (E_RNA)
where:
Base-Base interactions energy: -254.128
where: short stacking energy: -133.812
Base-Backbone interact. energy: -0.733
local terms energy: -146.433706
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -27.942
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -31.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -385.539421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.539421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.539421 (E_RNA)
where:
Base-Base interactions energy: -244.617
where: short stacking energy: -124.024
Base-Backbone interact. energy: 0.813
local terms energy: -141.735538
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -24.855
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -33.845
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: 378
Temperature: 1.250000
Total energy: -312.935636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.935636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.935636 (E_RNA)
where:
Base-Base interactions energy: -191.460
where: short stacking energy: -79.345
Base-Backbone interact. energy: -0.415
local terms energy: -121.060987
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -29.943
flat angles C4'-P-C4' energy: -27.813
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -272.438866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.438866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.438866 (E_RNA)
where:
Base-Base interactions energy: -166.240
where: short stacking energy: -83.057
Base-Backbone interact. energy: -0.397
local terms energy: -105.801889
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -28.119
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -12.120
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: 378
Temperature: 1.350000
Total energy: -221.502893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.502893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.502893 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -83.056
Base-Backbone interact. energy: -0.481
local terms energy: -99.280564
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -563.515396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.515396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.515396 (E_RNA)
where:
Base-Base interactions energy: -371.046
where: short stacking energy: -179.080
Base-Backbone interact. energy: 0.360
local terms energy: -192.830084
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -33.671
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -32.818
tors. eta vs tors. theta energy: -50.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -535.835570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.835570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.835570 (E_RNA)
where:
Base-Base interactions energy: -365.068
where: short stacking energy: -166.063
Base-Backbone interact. energy: -0.540
local terms energy: -170.227362
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -36.923
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -46.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -507.572340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.572340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.572340 (E_RNA)
where:
Base-Base interactions energy: -343.758
where: short stacking energy: -163.969
Base-Backbone interact. energy: 1.887
local terms energy: -165.701601
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -30.021
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: -41.584
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: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -511.217462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.217462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.217462 (E_RNA)
where:
Base-Base interactions energy: -338.521
where: short stacking energy: -173.764
Base-Backbone interact. energy: -0.752
local terms energy: -171.943965
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -37.149
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: -45.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -490.945836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.945836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.945836 (E_RNA)
where:
Base-Base interactions energy: -343.070
where: short stacking energy: -157.011
Base-Backbone interact. energy: -0.135
local terms energy: -147.740821
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -21.499
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: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -369.440120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.440120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.440120 (E_RNA)
where:
Base-Base interactions energy: -217.465
where: short stacking energy: -116.460
Base-Backbone interact. energy: -0.770
local terms energy: -151.204822
where:
bonds (distance) C4'-P energy: -31.072
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -26.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -392.013798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.013798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.013798 (E_RNA)
where:
Base-Base interactions energy: -254.913
where: short stacking energy: -126.639
Base-Backbone interact. energy: 0.395
local terms energy: -137.496319
where:
bonds (distance) C4'-P energy: -27.724
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -34.030
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: -26.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -329.223280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.223280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.223280 (E_RNA)
where:
Base-Base interactions energy: -209.978
where: short stacking energy: -99.212
Base-Backbone interact. energy: -1.260
local terms energy: -117.984831
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -29.286
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -305.170477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.170477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.170477 (E_RNA)
where:
Base-Base interactions energy: -210.103
where: short stacking energy: -96.365
Base-Backbone interact. energy: -0.882
local terms energy: -94.185534
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -210.399598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.399598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399598 (E_RNA)
where:
Base-Base interactions energy: -107.593
where: short stacking energy: -56.042
Base-Backbone interact. energy: 0.061
local terms energy: -102.868019
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -575.126317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.126317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.126317 (E_RNA)
where:
Base-Base interactions energy: -380.382
where: short stacking energy: -191.861
Base-Backbone interact. energy: -0.357
local terms energy: -194.387481
where:
bonds (distance) C4'-P energy: -37.358
bonds (distance) P-C4' energy: -38.231
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -55.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -536.710352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.710352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.710352 (E_RNA)
where:
Base-Base interactions energy: -362.341
where: short stacking energy: -170.657
Base-Backbone interact. energy: -0.218
local terms energy: -174.151258
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -32.474
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: -46.995
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: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -503.035896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.035896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.035896 (E_RNA)
where:
Base-Base interactions energy: -342.793
where: short stacking energy: -153.091
Base-Backbone interact. energy: 0.543
local terms energy: -160.785369
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -23.690
tors. eta vs tors. theta energy: -41.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -491.044791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.044791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.044791 (E_RNA)
where:
Base-Base interactions energy: -335.504
where: short stacking energy: -164.522
Base-Backbone interact. energy: -0.217
local terms energy: -155.323209
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -39.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -452.731170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.731170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.731170 (E_RNA)
where:
Base-Base interactions energy: -295.108
where: short stacking energy: -144.267
Base-Backbone interact. energy: -0.356
local terms energy: -157.267288
where:
bonds (distance) C4'-P energy: -30.880
bonds (distance) P-C4' energy: -36.460
flat angles C4'-P-C4' energy: -31.023
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -36.185
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: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -378.497793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.497793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.497793 (E_RNA)
where:
Base-Base interactions energy: -235.845
where: short stacking energy: -119.105
Base-Backbone interact. energy: -0.201
local terms energy: -142.451604
where:
bonds (distance) C4'-P energy: -30.482
bonds (distance) P-C4' energy: -33.416
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -393.440959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.440959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.440959 (E_RNA)
where:
Base-Base interactions energy: -258.839
where: short stacking energy: -130.581
Base-Backbone interact. energy: 1.442
local terms energy: -136.043794
where:
bonds (distance) C4'-P energy: -36.882
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -25.655
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: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -326.096088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.096088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.096088 (E_RNA)
where:
Base-Base interactions energy: -196.729
where: short stacking energy: -99.571
Base-Backbone interact. energy: -0.525
local terms energy: -128.842138
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -25.147
flat angles C4'-P-C4' energy: -33.812
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -26.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -303.593603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.593603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.593603 (E_RNA)
where:
Base-Base interactions energy: -182.881
where: short stacking energy: -85.030
Base-Backbone interact. energy: 0.064
local terms energy: -120.776005
where:
bonds (distance) C4'-P energy: -32.639
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -31.547
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -234.975474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.975474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.975474 (E_RNA)
where:
Base-Base interactions energy: -126.548
where: short stacking energy: -66.540
Base-Backbone interact. energy: 2.525
local terms energy: -110.952422
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -32.936
flat angles C4'-P-C4' energy: -28.848
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -9.133
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: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -576.083055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.083055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.083055 (E_RNA)
where:
Base-Base interactions energy: -390.326
where: short stacking energy: -191.649
Base-Backbone interact. energy: -0.022
local terms energy: -185.735794
where:
bonds (distance) C4'-P energy: -24.763
bonds (distance) P-C4' energy: -36.841
flat angles C4'-P-C4' energy: -38.401
flat angles P-C4'-P energy: -28.579
tors. eta vs tors. theta energy: -57.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -526.675317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.675317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.675317 (E_RNA)
where:
Base-Base interactions energy: -357.204
where: short stacking energy: -166.585
Base-Backbone interact. energy: -0.250
local terms energy: -169.220358
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -37.738
flat angles P-C4'-P energy: -27.595
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: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -535.179814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.179814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.179814 (E_RNA)
where:
Base-Base interactions energy: -346.487
where: short stacking energy: -177.846
Base-Backbone interact. energy: -0.118
local terms energy: -188.574164
where:
bonds (distance) C4'-P energy: -36.510
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: -49.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -445.315183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.315183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.315183 (E_RNA)
where:
Base-Base interactions energy: -284.986
where: short stacking energy: -158.786
Base-Backbone interact. energy: -0.409
local terms energy: -159.919701
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -36.929
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: -36.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -475.160942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.160942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.160942 (E_RNA)
where:
Base-Base interactions energy: -310.470
where: short stacking energy: -136.040
Base-Backbone interact. energy: -0.162
local terms energy: -164.528946
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -39.487
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -34.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -387.223701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.223701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.223701 (E_RNA)
where:
Base-Base interactions energy: -252.965
where: short stacking energy: -130.694
Base-Backbone interact. energy: -0.322
local terms energy: -133.936745
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -25.517
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -23.587
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: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -414.991120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.991120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.991120 (E_RNA)
where:
Base-Base interactions energy: -275.888
where: short stacking energy: -120.261
Base-Backbone interact. energy: -0.142
local terms energy: -138.960889
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -29.264
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -26.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -324.336165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.336165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.336165 (E_RNA)
where:
Base-Base interactions energy: -206.465
where: short stacking energy: -97.206
Base-Backbone interact. energy: 4.427
local terms energy: -122.298181
where:
bonds (distance) C4'-P energy: -29.390
bonds (distance) P-C4' energy: -27.921
flat angles C4'-P-C4' energy: -34.001
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -17.028
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: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -307.729123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.729123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.729123 (E_RNA)
where:
Base-Base interactions energy: -187.751
where: short stacking energy: -85.360
Base-Backbone interact. energy: 0.391
local terms energy: -120.369543
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -34.725
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -216.491725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.491725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.491725 (E_RNA)
where:
Base-Base interactions energy: -100.727
where: short stacking energy: -55.646
Base-Backbone interact. energy: -0.324
local terms energy: -115.440455
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -34.020
flat angles C4'-P-C4' energy: -27.305
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -569.293677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.293677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.293677 (E_RNA)
where:
Base-Base interactions energy: -375.002
where: short stacking energy: -185.096
Base-Backbone interact. energy: -0.006
local terms energy: -194.285407
where:
bonds (distance) C4'-P energy: -36.028
bonds (distance) P-C4' energy: -32.324
flat angles C4'-P-C4' energy: -43.148
flat angles P-C4'-P energy: -26.791
tors. eta vs tors. theta energy: -55.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -529.338516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.338516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.338516 (E_RNA)
where:
Base-Base interactions energy: -355.670
where: short stacking energy: -164.955
Base-Backbone interact. energy: -1.577
local terms energy: -172.091223
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -45.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -524.075131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.075131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.075131 (E_RNA)
where:
Base-Base interactions energy: -355.108
where: short stacking energy: -159.849
Base-Backbone interact. energy: -0.184
local terms energy: -168.783228
where:
bonds (distance) C4'-P energy: -36.760
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -36.875
flat angles P-C4'-P energy: -17.052
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: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -434.956193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.956193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.956193 (E_RNA)
where:
Base-Base interactions energy: -292.155
where: short stacking energy: -130.021
Base-Backbone interact. energy: -0.318
local terms energy: -142.482516
where:
bonds (distance) C4'-P energy: -31.368
bonds (distance) P-C4' energy: -27.902
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -29.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -478.490654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.490654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.490654 (E_RNA)
where:
Base-Base interactions energy: -308.620
where: short stacking energy: -141.100
Base-Backbone interact. energy: -0.176
local terms energy: -169.695125
where:
bonds (distance) C4'-P energy: -34.313
bonds (distance) P-C4' energy: -35.638
flat angles C4'-P-C4' energy: -39.558
flat angles P-C4'-P energy: -22.711
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -410.623555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.623555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.623555 (E_RNA)
where:
Base-Base interactions energy: -270.319
where: short stacking energy: -118.279
Base-Backbone interact. energy: -1.058
local terms energy: -139.246315
where:
bonds (distance) C4'-P energy: -34.220
bonds (distance) P-C4' energy: -32.877
flat angles C4'-P-C4' energy: -34.536
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -378.003424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.003424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.003424 (E_RNA)
where:
Base-Base interactions energy: -241.537
where: short stacking energy: -119.664
Base-Backbone interact. energy: -0.216
local terms energy: -136.250622
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -26.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -346.163312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.163312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.163312 (E_RNA)
where:
Base-Base interactions energy: -204.307
where: short stacking energy: -95.603
Base-Backbone interact. energy: -0.136
local terms energy: -141.720471
where:
bonds (distance) C4'-P energy: -32.178
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -276.070751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.070751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.070751 (E_RNA)
where:
Base-Base interactions energy: -166.224
where: short stacking energy: -85.570
Base-Backbone interact. energy: -0.291
local terms energy: -109.555889
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -28.811
flat angles C4'-P-C4' energy: -32.149
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -234.414154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.414154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.414154 (E_RNA)
where:
Base-Base interactions energy: -122.762
where: short stacking energy: -58.415
Base-Backbone interact. energy: 0.261
local terms energy: -111.912819
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -30.511
flat angles C4'-P-C4' energy: -25.324
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -560.477876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.477876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.477876 (E_RNA)
where:
Base-Base interactions energy: -375.695
where: short stacking energy: -197.029
Base-Backbone interact. energy: -0.908
local terms energy: -183.874690
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -32.726
flat angles C4'-P-C4' energy: -40.353
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -54.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -553.177041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.177041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.177041 (E_RNA)
where:
Base-Base interactions energy: -360.059
where: short stacking energy: -173.473
Base-Backbone interact. energy: -0.063
local terms energy: -193.055722
where:
bonds (distance) C4'-P energy: -35.430
bonds (distance) P-C4' energy: -38.002
flat angles C4'-P-C4' energy: -39.676
flat angles P-C4'-P energy: -28.599
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -508.393528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.393528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.393528 (E_RNA)
where:
Base-Base interactions energy: -345.235
where: short stacking energy: -161.281
Base-Backbone interact. energy: -0.488
local terms energy: -162.670689
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -39.070
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -41.088
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: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -500.082720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.082720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.082720 (E_RNA)
where:
Base-Base interactions energy: -339.484
where: short stacking energy: -158.160
Base-Backbone interact. energy: -1.317
local terms energy: -159.281852
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -45.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -415.866729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.866729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.866729 (E_RNA)
where:
Base-Base interactions energy: -263.362
where: short stacking energy: -128.771
Base-Backbone interact. energy: -0.400
local terms energy: -152.104163
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -34.197
flat angles C4'-P-C4' energy: -35.017
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -34.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -410.581145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.581145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.581145 (E_RNA)
where:
Base-Base interactions energy: -259.599
where: short stacking energy: -121.830
Base-Backbone interact. energy: 0.174
local terms energy: -151.156017
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -29.973
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -32.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -398.651478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.651478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.651478 (E_RNA)
where:
Base-Base interactions energy: -252.391
where: short stacking energy: -121.890
Base-Backbone interact. energy: 0.929
local terms energy: -147.189592
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -36.335
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -24.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -295.260633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.260633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.260633 (E_RNA)
where:
Base-Base interactions energy: -183.797
where: short stacking energy: -83.560
Base-Backbone interact. energy: 1.033
local terms energy: -112.496340
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -28.746
flat angles C4'-P-C4' energy: -25.198
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -351.308046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.308046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.308046 (E_RNA)
where:
Base-Base interactions energy: -214.960
where: short stacking energy: -101.619
Base-Backbone interact. energy: -0.285
local terms energy: -136.063950
where:
bonds (distance) C4'-P energy: -29.947
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -230.756788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.756788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.756788 (E_RNA)
where:
Base-Base interactions energy: -121.232
where: short stacking energy: -44.055
Base-Backbone interact. energy: 0.354
local terms energy: -109.879626
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -32.443
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: 5.625
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: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -560.469455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.469455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.469455 (E_RNA)
where:
Base-Base interactions energy: -384.646
where: short stacking energy: -185.476
Base-Backbone interact. energy: -0.070
local terms energy: -175.753811
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -34.345
flat angles C4'-P-C4' energy: -40.046
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -51.333
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: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -553.498836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.498836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.498836 (E_RNA)
where:
Base-Base interactions energy: -373.324
where: short stacking energy: -181.591
Base-Backbone interact. energy: -0.459
local terms energy: -179.716020
where:
bonds (distance) C4'-P energy: -38.468
bonds (distance) P-C4' energy: -30.529
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -55.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -510.082224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.082224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.082224 (E_RNA)
where:
Base-Base interactions energy: -348.967
where: short stacking energy: -158.845
Base-Backbone interact. energy: -0.801
local terms energy: -160.313818
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -39.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -494.985584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.985584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.985584 (E_RNA)
where:
Base-Base interactions energy: -327.979
where: short stacking energy: -151.484
Base-Backbone interact. energy: 0.930
local terms energy: -167.937052
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -37.648
flat angles P-C4'-P energy: -29.879
tors. eta vs tors. theta energy: -38.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -413.542903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.542903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.542903 (E_RNA)
where:
Base-Base interactions energy: -265.458
where: short stacking energy: -136.953
Base-Backbone interact. energy: 0.021
local terms energy: -148.106530
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -31.254
flat angles P-C4'-P energy: -27.022
tors. eta vs tors. theta energy: -32.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -394.611144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.611144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.611144 (E_RNA)
where:
Base-Base interactions energy: -263.042
where: short stacking energy: -138.721
Base-Backbone interact. energy: 1.546
local terms energy: -133.114474
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -29.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -387.840169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.840169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.840169 (E_RNA)
where:
Base-Base interactions energy: -253.687
where: short stacking energy: -126.109
Base-Backbone interact. energy: -0.726
local terms energy: -133.427175
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -30.052
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -329.477099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.477099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.477099 (E_RNA)
where:
Base-Base interactions energy: -206.030
where: short stacking energy: -96.006
Base-Backbone interact. energy: 3.494
local terms energy: -126.941352
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -32.770
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -14.343
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: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -337.875303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.875303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.875303 (E_RNA)
where:
Base-Base interactions energy: -219.313
where: short stacking energy: -113.205
Base-Backbone interact. energy: -0.190
local terms energy: -118.372533
where:
bonds (distance) C4'-P energy: -27.837
bonds (distance) P-C4' energy: -27.958
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -228.803158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.803158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.803158 (E_RNA)
where:
Base-Base interactions energy: -124.346
where: short stacking energy: -71.916
Base-Backbone interact. energy: -0.360
local terms energy: -104.097632
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -32.754
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -565.101019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.101019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.101019 (E_RNA)
where:
Base-Base interactions energy: -377.559
where: short stacking energy: -180.644
Base-Backbone interact. energy: -0.498
local terms energy: -187.043083
where:
bonds (distance) C4'-P energy: -36.507
bonds (distance) P-C4' energy: -38.209
flat angles C4'-P-C4' energy: -32.754
flat angles P-C4'-P energy: -28.921
tors. eta vs tors. theta energy: -50.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -546.216662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.216662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.216662 (E_RNA)
where:
Base-Base interactions energy: -368.327
where: short stacking energy: -177.888
Base-Backbone interact. energy: 2.168
local terms energy: -180.057026
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -36.748
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: -47.559
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: 385
Temperature: 1.000000
Total energy: -546.109787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.109787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.109787 (E_RNA)
where:
Base-Base interactions energy: -377.177
where: short stacking energy: -173.790
Base-Backbone interact. energy: -0.506
local terms energy: -168.427046
where:
bonds (distance) C4'-P energy: -35.088
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -34.608
flat angles P-C4'-P energy: -24.554
tors. eta vs tors. theta energy: -46.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -471.613346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.613346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.613346 (E_RNA)
where:
Base-Base interactions energy: -323.033
where: short stacking energy: -143.098
Base-Backbone interact. energy: -0.633
local terms energy: -147.946701
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -30.347
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -28.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -382.738943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.738943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.738943 (E_RNA)
where:
Base-Base interactions energy: -242.364
where: short stacking energy: -124.603
Base-Backbone interact. energy: -0.957
local terms energy: -139.417820
where:
bonds (distance) C4'-P energy: -32.657
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -27.859
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -31.875
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: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -399.586459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.586459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.586459 (E_RNA)
where:
Base-Base interactions energy: -265.612
where: short stacking energy: -134.890
Base-Backbone interact. energy: 0.315
local terms energy: -134.289479
where:
bonds (distance) C4'-P energy: -34.093
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -30.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -368.803833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.803833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.803833 (E_RNA)
where:
Base-Base interactions energy: -241.231
where: short stacking energy: -115.931
Base-Backbone interact. energy: 1.230
local terms energy: -128.803489
where:
bonds (distance) C4'-P energy: -31.322
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -342.272067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.272067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.272067 (E_RNA)
where:
Base-Base interactions energy: -217.128
where: short stacking energy: -104.474
Base-Backbone interact. energy: -0.537
local terms energy: -124.606784
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -31.749
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -27.255
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: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -299.435809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.435809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.435809 (E_RNA)
where:
Base-Base interactions energy: -191.154
where: short stacking energy: -80.146
Base-Backbone interact. energy: 0.784
local terms energy: -109.065474
where:
bonds (distance) C4'-P energy: -28.351
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -231.772424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.772424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.772424 (E_RNA)
where:
Base-Base interactions energy: -106.699
where: short stacking energy: -56.937
Base-Backbone interact. energy: -1.091
local terms energy: -123.982105
where:
bonds (distance) C4'-P energy: -29.458
bonds (distance) P-C4' energy: -37.063
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -21.852
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: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -569.146532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.146532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.146532 (E_RNA)
where:
Base-Base interactions energy: -376.156
where: short stacking energy: -184.631
Base-Backbone interact. energy: -1.991
local terms energy: -191.000300
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -40.526
flat angles P-C4'-P energy: -30.899
tors. eta vs tors. theta energy: -52.166
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: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -566.071356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.071356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.071356 (E_RNA)
where:
Base-Base interactions energy: -378.265
where: short stacking energy: -183.506
Base-Backbone interact. energy: 1.283
local terms energy: -189.089996
where:
bonds (distance) C4'-P energy: -36.872
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -33.187
flat angles P-C4'-P energy: -29.734
tors. eta vs tors. theta energy: -53.907
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: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -504.444171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.444171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.444171 (E_RNA)
where:
Base-Base interactions energy: -340.983
where: short stacking energy: -155.522
Base-Backbone interact. energy: 0.076
local terms energy: -163.537536
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -34.862
flat angles P-C4'-P energy: -25.023
tors. eta vs tors. theta energy: -40.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -490.039748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.039748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.039748 (E_RNA)
where:
Base-Base interactions energy: -335.025
where: short stacking energy: -151.778
Base-Backbone interact. energy: 1.479
local terms energy: -156.493945
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -35.016
flat angles P-C4'-P energy: -21.757
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: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -425.983926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.983926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.983926 (E_RNA)
where:
Base-Base interactions energy: -278.274
where: short stacking energy: -132.006
Base-Backbone interact. energy: -0.765
local terms energy: -146.945353
where:
bonds (distance) C4'-P energy: -31.046
bonds (distance) P-C4' energy: -27.087
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -24.650
tors. eta vs tors. theta energy: -29.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -365.908602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.908602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.908602 (E_RNA)
where:
Base-Base interactions energy: -222.670
where: short stacking energy: -100.086
Base-Backbone interact. energy: 1.158
local terms energy: -144.396671
where:
bonds (distance) C4'-P energy: -32.353
bonds (distance) P-C4' energy: -39.875
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -383.644159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.644159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.644159 (E_RNA)
where:
Base-Base interactions energy: -239.667
where: short stacking energy: -120.709
Base-Backbone interact. energy: -0.125
local terms energy: -143.851486
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -28.056
flat angles C4'-P-C4' energy: -32.303
flat angles P-C4'-P energy: -22.513
tors. eta vs tors. theta energy: -30.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -348.219164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.219164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.219164 (E_RNA)
where:
Base-Base interactions energy: -216.192
where: short stacking energy: -98.792
Base-Backbone interact. energy: -0.145
local terms energy: -131.881914
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -242.999195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.999195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.999195 (E_RNA)
where:
Base-Base interactions energy: -133.693
where: short stacking energy: -88.716
Base-Backbone interact. energy: -0.373
local terms energy: -108.932886
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -33.330
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -14.771
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: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -305.132097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.132097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.132097 (E_RNA)
where:
Base-Base interactions energy: -180.433
where: short stacking energy: -85.491
Base-Backbone interact. energy: -0.619
local terms energy: -124.080196
where:
bonds (distance) C4'-P energy: -34.683
bonds (distance) P-C4' energy: -28.377
flat angles C4'-P-C4' energy: -24.628
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -15.552
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: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -569.653326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.653326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.653326 (E_RNA)
where:
Base-Base interactions energy: -376.361
where: short stacking energy: -180.144
Base-Backbone interact. energy: -0.054
local terms energy: -193.237959
where:
bonds (distance) C4'-P energy: -37.461
bonds (distance) P-C4' energy: -37.160
flat angles C4'-P-C4' energy: -35.891
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -53.820
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: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -563.692389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.692389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.692389 (E_RNA)
where:
Base-Base interactions energy: -376.737
where: short stacking energy: -187.859
Base-Backbone interact. energy: -0.022
local terms energy: -186.933009
where:
bonds (distance) C4'-P energy: -32.540
bonds (distance) P-C4' energy: -33.877
flat angles C4'-P-C4' energy: -42.509
flat angles P-C4'-P energy: -23.844
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: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -502.661007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.661007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.661007 (E_RNA)
where:
Base-Base interactions energy: -328.351
where: short stacking energy: -149.061
Base-Backbone interact. energy: -0.407
local terms energy: -173.902730
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -37.671
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -38.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -493.491340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.491340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.491340 (E_RNA)
where:
Base-Base interactions energy: -325.440
where: short stacking energy: -159.905
Base-Backbone interact. energy: -0.223
local terms energy: -167.828073
where:
bonds (distance) C4'-P energy: -31.391
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -37.548
flat angles P-C4'-P energy: -28.619
tors. eta vs tors. theta energy: -33.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -457.635038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.635038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.635038 (E_RNA)
where:
Base-Base interactions energy: -302.003
where: short stacking energy: -149.025
Base-Backbone interact. energy: -0.712
local terms energy: -154.920336
where:
bonds (distance) C4'-P energy: -33.596
bonds (distance) P-C4' energy: -30.895
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -40.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -405.981818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.981818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.981818 (E_RNA)
where:
Base-Base interactions energy: -256.073
where: short stacking energy: -128.322
Base-Backbone interact. energy: -0.260
local terms energy: -149.648625
where:
bonds (distance) C4'-P energy: -37.148
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -32.083
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -33.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -322.047049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.047049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.047049 (E_RNA)
where:
Base-Base interactions energy: -196.818
where: short stacking energy: -104.315
Base-Backbone interact. energy: -0.599
local terms energy: -124.629828
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -27.574
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -366.691895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.691895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.691895 (E_RNA)
where:
Base-Base interactions energy: -228.353
where: short stacking energy: -109.422
Base-Backbone interact. energy: -0.739
local terms energy: -137.600554
where:
bonds (distance) C4'-P energy: -30.984
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -32.790
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -235.833081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.833081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.833081 (E_RNA)
where:
Base-Base interactions energy: -117.457
where: short stacking energy: -77.299
Base-Backbone interact. energy: -0.350
local terms energy: -118.026309
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -24.482
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -283.517521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.517521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.517521 (E_RNA)
where:
Base-Base interactions energy: -180.983
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.800
local terms energy: -101.733709
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -27.595
flat angles C4'-P-C4' energy: -28.885
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -9.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -563.552802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.552802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.552802 (E_RNA)
where:
Base-Base interactions energy: -376.353
where: short stacking energy: -178.893
Base-Backbone interact. energy: -0.103
local terms energy: -187.096922
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -39.630
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -49.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -571.313499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.313499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.313499 (E_RNA)
where:
Base-Base interactions energy: -387.047
where: short stacking energy: -190.229
Base-Backbone interact. energy: -0.235
local terms energy: -184.031582
where:
bonds (distance) C4'-P energy: -33.491
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -35.149
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: -54.611
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: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -489.403020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.403020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.403020 (E_RNA)
where:
Base-Base interactions energy: -324.602
where: short stacking energy: -147.593
Base-Backbone interact. energy: -0.073
local terms energy: -164.727572
where:
bonds (distance) C4'-P energy: -30.533
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -41.290
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -38.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -492.184694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.184694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.184694 (E_RNA)
where:
Base-Base interactions energy: -337.748
where: short stacking energy: -142.997
Base-Backbone interact. energy: -0.321
local terms energy: -154.114899
where:
bonds (distance) C4'-P energy: -37.503
bonds (distance) P-C4' energy: -30.478
flat angles C4'-P-C4' energy: -31.113
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -34.634
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: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -435.008157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.008157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.008157 (E_RNA)
where:
Base-Base interactions energy: -294.195
where: short stacking energy: -131.297
Base-Backbone interact. energy: -1.163
local terms energy: -139.650470
where:
bonds (distance) C4'-P energy: -29.636
bonds (distance) P-C4' energy: -33.702
flat angles C4'-P-C4' energy: -33.381
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -405.473338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.473338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.473338 (E_RNA)
where:
Base-Base interactions energy: -246.855
where: short stacking energy: -126.756
Base-Backbone interact. energy: -0.374
local terms energy: -158.244333
where:
bonds (distance) C4'-P energy: -26.356
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -34.998
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -34.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -389.422714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.422714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.422714 (E_RNA)
where:
Base-Base interactions energy: -252.092
where: short stacking energy: -115.911
Base-Backbone interact. energy: -0.284
local terms energy: -137.047065
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -30.999
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -27.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -303.748272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.748272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.748272 (E_RNA)
where:
Base-Base interactions energy: -173.709
where: short stacking energy: -90.031
Base-Backbone interact. energy: -0.122
local terms energy: -129.916985
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -35.898
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -9.756
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: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -299.561034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.561034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.561034 (E_RNA)
where:
Base-Base interactions energy: -177.339
where: short stacking energy: -78.607
Base-Backbone interact. energy: -0.702
local terms energy: -121.520846
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -33.915
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -229.732682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.732682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.732682 (E_RNA)
where:
Base-Base interactions energy: -134.133
where: short stacking energy: -87.172
Base-Backbone interact. energy: -0.582
local terms energy: -95.017732
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -9.956
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: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -564.533995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.533995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.533995 (E_RNA)
where:
Base-Base interactions energy: -370.611
where: short stacking energy: -174.030
Base-Backbone interact. energy: -1.016
local terms energy: -192.907222
where:
bonds (distance) C4'-P energy: -36.218
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -40.383
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -50.687
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: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -557.220955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.220955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.220955 (E_RNA)
where:
Base-Base interactions energy: -370.347
where: short stacking energy: -177.178
Base-Backbone interact. energy: -0.383
local terms energy: -186.491025
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -42.474
flat angles P-C4'-P energy: -23.432
tors. eta vs tors. theta energy: -51.427
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: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -520.804564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.804564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.804564 (E_RNA)
where:
Base-Base interactions energy: -344.160
where: short stacking energy: -175.810
Base-Backbone interact. energy: -0.264
local terms energy: -176.380247
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -35.507
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -51.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -475.380777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.380777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.380777 (E_RNA)
where:
Base-Base interactions energy: -310.083
where: short stacking energy: -147.548
Base-Backbone interact. energy: -0.152
local terms energy: -165.145931
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -31.811
flat angles P-C4'-P energy: -24.445
tors. eta vs tors. theta energy: -37.781
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: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -447.202317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.202317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.202317 (E_RNA)
where:
Base-Base interactions energy: -287.352
where: short stacking energy: -140.966
Base-Backbone interact. energy: -0.405
local terms energy: -159.445056
where:
bonds (distance) C4'-P energy: -32.636
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -37.630
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -33.882
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: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -420.706405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.706405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.706405 (E_RNA)
where:
Base-Base interactions energy: -266.907
where: short stacking energy: -122.188
Base-Backbone interact. energy: -0.528
local terms energy: -153.271910
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -35.049
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -30.815
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: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -408.384953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.384953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.384953 (E_RNA)
where:
Base-Base interactions energy: -259.859
where: short stacking energy: -126.786
Base-Backbone interact. energy: -0.036
local terms energy: -148.490390
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -33.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -323.277298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.277298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.277298 (E_RNA)
where:
Base-Base interactions energy: -188.834
where: short stacking energy: -94.786
Base-Backbone interact. energy: -0.241
local terms energy: -134.202364
where:
bonds (distance) C4'-P energy: -28.497
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -16.241
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: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -311.197330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.197330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.197330 (E_RNA)
where:
Base-Base interactions energy: -196.083
where: short stacking energy: -99.970
Base-Backbone interact. energy: -0.868
local terms energy: -114.246273
where:
bonds (distance) C4'-P energy: -32.668
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -14.908
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -219.956120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.956120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.956120 (E_RNA)
where:
Base-Base interactions energy: -114.574
where: short stacking energy: -56.676
Base-Backbone interact. energy: -0.864
local terms energy: -104.518023
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -33.764
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -554.405882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.405882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.405882 (E_RNA)
where:
Base-Base interactions energy: -364.309
where: short stacking energy: -170.891
Base-Backbone interact. energy: -0.564
local terms energy: -189.532880
where:
bonds (distance) C4'-P energy: -35.616
bonds (distance) P-C4' energy: -38.285
flat angles C4'-P-C4' energy: -39.690
flat angles P-C4'-P energy: -27.243
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -553.608701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.608701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.608701 (E_RNA)
where:
Base-Base interactions energy: -372.990
where: short stacking energy: -183.132
Base-Backbone interact. energy: -0.074
local terms energy: -180.545260
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -31.813
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -55.165
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: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -519.761409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.761409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.761409 (E_RNA)
where:
Base-Base interactions energy: -344.974
where: short stacking energy: -165.703
Base-Backbone interact. energy: 0.511
local terms energy: -175.298709
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -40.563
flat angles P-C4'-P energy: -26.951
tors. eta vs tors. theta energy: -40.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -506.043751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.043751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.043751 (E_RNA)
where:
Base-Base interactions energy: -339.332
where: short stacking energy: -137.038
Base-Backbone interact. energy: -0.440
local terms energy: -166.272131
where:
bonds (distance) C4'-P energy: -35.203
bonds (distance) P-C4' energy: -35.162
flat angles C4'-P-C4' energy: -35.840
flat angles P-C4'-P energy: -28.122
tors. eta vs tors. theta energy: -31.946
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: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -444.645698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.645698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.645698 (E_RNA)
where:
Base-Base interactions energy: -280.146
where: short stacking energy: -143.210
Base-Backbone interact. energy: -1.456
local terms energy: -163.043662
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -34.377
flat angles C4'-P-C4' energy: -36.852
flat angles P-C4'-P energy: -20.202
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: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -391.550823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.550823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.550823 (E_RNA)
where:
Base-Base interactions energy: -241.101
where: short stacking energy: -125.389
Base-Backbone interact. energy: -0.374
local terms energy: -150.076171
where:
bonds (distance) C4'-P energy: -36.709
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -24.473
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: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -330.772567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.772567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.772567 (E_RNA)
where:
Base-Base interactions energy: -210.333
where: short stacking energy: -108.555
Base-Backbone interact. energy: 3.251
local terms energy: -123.691363
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -22.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -350.574049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.574049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.574049 (E_RNA)
where:
Base-Base interactions energy: -217.386
where: short stacking energy: -102.104
Base-Backbone interact. energy: -1.275
local terms energy: -131.913007
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -292.278765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.278765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.278765 (E_RNA)
where:
Base-Base interactions energy: -170.918
where: short stacking energy: -95.448
Base-Backbone interact. energy: 1.208
local terms energy: -122.568262
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -28.237
flat angles C4'-P-C4' energy: -31.114
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -19.266
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: 390
Temperature: 1.350000
Total energy: -249.805984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.805984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.805984 (E_RNA)
where:
Base-Base interactions energy: -136.444
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.207
local terms energy: -113.154860
where:
bonds (distance) C4'-P energy: -26.565
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -15.799
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: 1, replica: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -572.151053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.151053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.151053 (E_RNA)
where:
Base-Base interactions energy: -391.605
where: short stacking energy: -194.119
Base-Backbone interact. energy: -0.079
local terms energy: -180.467235
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -28.105
flat angles C4'-P-C4' energy: -39.701
flat angles P-C4'-P energy: -28.135
tors. eta vs tors. theta energy: -47.802
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: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -553.004891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.004891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.004891 (E_RNA)
where:
Base-Base interactions energy: -372.359
where: short stacking energy: -170.832
Base-Backbone interact. energy: -0.648
local terms energy: -179.997801
where:
bonds (distance) C4'-P energy: -34.192
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -32.951
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -48.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -502.684285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.684285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.684285 (E_RNA)
where:
Base-Base interactions energy: -335.964
where: short stacking energy: -166.029
Base-Backbone interact. energy: -1.271
local terms energy: -165.449891
where:
bonds (distance) C4'-P energy: -34.265
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -36.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -500.495574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.495574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.495574 (E_RNA)
where:
Base-Base interactions energy: -327.749
where: short stacking energy: -163.476
Base-Backbone interact. energy: -0.235
local terms energy: -172.511579
where:
bonds (distance) C4'-P energy: -29.062
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -39.776
flat angles P-C4'-P energy: -22.016
tors. eta vs tors. theta energy: -45.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -445.795916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.795916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.795916 (E_RNA)
where:
Base-Base interactions energy: -301.905
where: short stacking energy: -121.461
Base-Backbone interact. energy: -1.374
local terms energy: -142.517411
where:
bonds (distance) C4'-P energy: -24.598
bonds (distance) P-C4' energy: -34.946
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -26.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -364.537847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.537847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.537847 (E_RNA)
where:
Base-Base interactions energy: -223.434
where: short stacking energy: -114.018
Base-Backbone interact. energy: -0.638
local terms energy: -140.465665
where:
bonds (distance) C4'-P energy: -38.377
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -30.569
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -27.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -380.652351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.652351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.652351 (E_RNA)
where:
Base-Base interactions energy: -257.937
where: short stacking energy: -124.582
Base-Backbone interact. energy: -0.643
local terms energy: -122.071821
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -355.122294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.122294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.122294 (E_RNA)
where:
Base-Base interactions energy: -225.176
where: short stacking energy: -110.939
Base-Backbone interact. energy: -0.211
local terms energy: -129.735325
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -29.790
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -22.021
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -321.569363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.569363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.569363 (E_RNA)
where:
Base-Base interactions energy: -190.604
where: short stacking energy: -84.145
Base-Backbone interact. energy: -0.210
local terms energy: -130.756007
where:
bonds (distance) C4'-P energy: -28.664
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -224.934284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.934284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.934284 (E_RNA)
where:
Base-Base interactions energy: -124.286
where: short stacking energy: -63.131
Base-Backbone interact. energy: 0.809
local terms energy: -101.457245
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -31.467
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -575.339649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.339649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.339649 (E_RNA)
where:
Base-Base interactions energy: -383.391
where: short stacking energy: -180.045
Base-Backbone interact. energy: -1.136
local terms energy: -190.812258
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -33.337
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -29.594
tors. eta vs tors. theta energy: -52.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -561.232867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.232867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.232867 (E_RNA)
where:
Base-Base interactions energy: -375.806
where: short stacking energy: -175.137
Base-Backbone interact. energy: -0.018
local terms energy: -185.408711
where:
bonds (distance) C4'-P energy: -36.758
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -38.011
flat angles P-C4'-P energy: -22.183
tors. eta vs tors. theta energy: -51.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -525.486104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.486104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.486104 (E_RNA)
where:
Base-Base interactions energy: -363.383
where: short stacking energy: -159.432
Base-Backbone interact. energy: 1.658
local terms energy: -163.761297
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -36.469
flat angles C4'-P-C4' energy: -32.976
flat angles P-C4'-P energy: -19.560
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: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -487.518360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.518360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.518360 (E_RNA)
where:
Base-Base interactions energy: -321.783
where: short stacking energy: -152.082
Base-Backbone interact. energy: -1.072
local terms energy: -164.663545
where:
bonds (distance) C4'-P energy: -37.871
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -36.599
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -38.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -447.401058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.401058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.401058 (E_RNA)
where:
Base-Base interactions energy: -292.996
where: short stacking energy: -143.676
Base-Backbone interact. energy: -0.335
local terms energy: -154.069908
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -36.735
flat angles C4'-P-C4' energy: -28.225
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -31.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -392.782461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.782461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.782461 (E_RNA)
where:
Base-Base interactions energy: -257.040
where: short stacking energy: -128.539
Base-Backbone interact. energy: -2.741
local terms energy: -133.001101
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -33.543
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -22.265
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -418.195243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.195243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.195243 (E_RNA)
where:
Base-Base interactions energy: -259.332
where: short stacking energy: -119.811
Base-Backbone interact. energy: -0.126
local terms energy: -158.737360
where:
bonds (distance) C4'-P energy: -29.927
bonds (distance) P-C4' energy: -35.424
flat angles C4'-P-C4' energy: -38.118
flat angles P-C4'-P energy: -25.318
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: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -386.525422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.525422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.525422 (E_RNA)
where:
Base-Base interactions energy: -244.214
where: short stacking energy: -126.654
Base-Backbone interact. energy: -0.250
local terms energy: -142.061308
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -33.143
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -31.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -286.128310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.128310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.128310 (E_RNA)
where:
Base-Base interactions energy: -167.005
where: short stacking energy: -92.547
Base-Backbone interact. energy: 0.710
local terms energy: -119.832625
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -26.555
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -19.227
tors. eta vs tors. theta energy: -17.765
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: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -235.063174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.063174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.063174 (E_RNA)
where:
Base-Base interactions energy: -119.132
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.354
local terms energy: -115.576684
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -28.038
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -583.244119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.244119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.244119 (E_RNA)
where:
Base-Base interactions energy: -392.829
where: short stacking energy: -195.311
Base-Backbone interact. energy: -0.328
local terms energy: -190.087329
where:
bonds (distance) C4'-P energy: -35.921
bonds (distance) P-C4' energy: -32.862
flat angles C4'-P-C4' energy: -41.140
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -58.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -548.342969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.342969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.342969 (E_RNA)
where:
Base-Base interactions energy: -362.285
where: short stacking energy: -180.857
Base-Backbone interact. energy: -0.220
local terms energy: -185.838397
where:
bonds (distance) C4'-P energy: -35.248
bonds (distance) P-C4' energy: -35.357
flat angles C4'-P-C4' energy: -39.533
flat angles P-C4'-P energy: -21.504
tors. eta vs tors. theta energy: -54.197
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: 393
Temperature: 1.000000
Total energy: -540.177046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.177046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.177046 (E_RNA)
where:
Base-Base interactions energy: -372.348
where: short stacking energy: -172.238
Base-Backbone interact. energy: 1.955
local terms energy: -169.783923
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -38.854
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -42.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -469.073237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.073237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.073237 (E_RNA)
where:
Base-Base interactions energy: -310.609
where: short stacking energy: -137.699
Base-Backbone interact. energy: -0.696
local terms energy: -157.768905
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -34.809
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -26.633
tors. eta vs tors. theta energy: -33.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -449.710299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.710299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.710299 (E_RNA)
where:
Base-Base interactions energy: -291.105
where: short stacking energy: -142.339
Base-Backbone interact. energy: -0.805
local terms energy: -157.800854
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -27.708
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -34.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -422.294626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.294626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.294626 (E_RNA)
where:
Base-Base interactions energy: -270.780
where: short stacking energy: -144.316
Base-Backbone interact. energy: 0.805
local terms energy: -152.320415
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -33.581
flat angles C4'-P-C4' energy: -32.623
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -37.963
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: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -367.851968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.851968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.851968 (E_RNA)
where:
Base-Base interactions energy: -229.063
where: short stacking energy: -126.406
Base-Backbone interact. energy: -1.305
local terms energy: -137.483582
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -28.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -310.709029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.709029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.709029 (E_RNA)
where:
Base-Base interactions energy: -197.685
where: short stacking energy: -92.671
Base-Backbone interact. energy: -0.280
local terms energy: -112.743328
where:
bonds (distance) C4'-P energy: -23.865
bonds (distance) P-C4' energy: -27.964
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -339.772255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.772255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.772255 (E_RNA)
where:
Base-Base interactions energy: -203.712
where: short stacking energy: -89.389
Base-Backbone interact. energy: -0.563
local terms energy: -135.497459
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -35.857
flat angles C4'-P-C4' energy: -30.616
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -240.118448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.118448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.118448 (E_RNA)
where:
Base-Base interactions energy: -124.720
where: short stacking energy: -75.670
Base-Backbone interact. energy: -0.339
local terms energy: -115.059211
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -27.191
flat angles C4'-P-C4' energy: -31.036
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -580.076837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.076837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.076837 (E_RNA)
where:
Base-Base interactions energy: -390.722
where: short stacking energy: -191.155
Base-Backbone interact. energy: -1.963
local terms energy: -187.391611
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -33.859
flat angles C4'-P-C4' energy: -40.785
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -58.099
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: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -561.886085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.886085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.886085 (E_RNA)
where:
Base-Base interactions energy: -383.923
where: short stacking energy: -193.958
Base-Backbone interact. energy: -0.163
local terms energy: -177.800236
where:
bonds (distance) C4'-P energy: -35.984
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -37.183
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -52.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -519.103198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.103198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.103198 (E_RNA)
where:
Base-Base interactions energy: -337.182
where: short stacking energy: -162.748
Base-Backbone interact. energy: -0.471
local terms energy: -181.449681
where:
bonds (distance) C4'-P energy: -35.601
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -44.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -487.496777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.496777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.496777 (E_RNA)
where:
Base-Base interactions energy: -321.969
where: short stacking energy: -155.913
Base-Backbone interact. energy: -0.430
local terms energy: -165.097546
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -38.569
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: -40.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -447.468940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.468940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.468940 (E_RNA)
where:
Base-Base interactions energy: -279.953
where: short stacking energy: -133.671
Base-Backbone interact. energy: -2.005
local terms energy: -165.510997
where:
bonds (distance) C4'-P energy: -33.527
bonds (distance) P-C4' energy: -38.005
flat angles C4'-P-C4' energy: -29.368
flat angles P-C4'-P energy: -28.791
tors. eta vs tors. theta energy: -35.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -429.639649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.639649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.639649 (E_RNA)
where:
Base-Base interactions energy: -280.442
where: short stacking energy: -122.281
Base-Backbone interact. energy: -0.832
local terms energy: -148.365827
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -29.679
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -29.934
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: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -337.824895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.824895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.824895 (E_RNA)
where:
Base-Base interactions energy: -203.051
where: short stacking energy: -103.406
Base-Backbone interact. energy: -0.072
local terms energy: -134.702062
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -28.079
flat angles C4'-P-C4' energy: -30.583
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -321.751715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.751715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.751715 (E_RNA)
where:
Base-Base interactions energy: -179.198
where: short stacking energy: -92.848
Base-Backbone interact. energy: -0.621
local terms energy: -141.931904
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -287.569651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.569651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.569651 (E_RNA)
where:
Base-Base interactions energy: -172.968
where: short stacking energy: -87.236
Base-Backbone interact. energy: 2.266
local terms energy: -116.867644
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -24.984
tors. eta vs tors. theta energy: -16.232
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: 394
Temperature: 1.350000
Total energy: -223.665886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.665886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.665886 (E_RNA)
where:
Base-Base interactions energy: -121.870
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.392
local terms energy: -101.404502
where:
bonds (distance) C4'-P energy: -30.572
bonds (distance) P-C4' energy: -27.955
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -14.766
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -571.598018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.598018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.598018 (E_RNA)
where:
Base-Base interactions energy: -383.927
where: short stacking energy: -189.395
Base-Backbone interact. energy: -0.017
local terms energy: -187.654615
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -41.591
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -26.134
tors. eta vs tors. theta energy: -54.792
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: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -565.311227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.311227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.311227 (E_RNA)
where:
Base-Base interactions energy: -376.895
where: short stacking energy: -193.135
Base-Backbone interact. energy: 2.096
local terms energy: -190.511505
where:
bonds (distance) C4'-P energy: -34.361
bonds (distance) P-C4' energy: -34.994
flat angles C4'-P-C4' energy: -42.316
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -52.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -513.672876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.672876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.672876 (E_RNA)
where:
Base-Base interactions energy: -338.157
where: short stacking energy: -153.373
Base-Backbone interact. energy: -0.623
local terms energy: -174.892995
where:
bonds (distance) C4'-P energy: -31.669
bonds (distance) P-C4' energy: -40.388
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -26.141
tors. eta vs tors. theta energy: -40.047
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: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -452.659884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.659884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.659884 (E_RNA)
where:
Base-Base interactions energy: -289.415
where: short stacking energy: -150.225
Base-Backbone interact. energy: 1.008
local terms energy: -164.253300
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -34.895
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: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -461.984004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.984004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.984004 (E_RNA)
where:
Base-Base interactions energy: -310.726
where: short stacking energy: -150.292
Base-Backbone interact. energy: 0.165
local terms energy: -151.423009
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -35.523
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -34.661
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: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -450.477100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.477100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.477100 (E_RNA)
where:
Base-Base interactions energy: -302.512
where: short stacking energy: -131.737
Base-Backbone interact. energy: 0.116
local terms energy: -148.081562
where:
bonds (distance) C4'-P energy: -28.551
bonds (distance) P-C4' energy: -29.297
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -32.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -327.384583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.384583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.384583 (E_RNA)
where:
Base-Base interactions energy: -194.215
where: short stacking energy: -106.581
Base-Backbone interact. energy: -0.862
local terms energy: -132.307949
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -31.094
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -25.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -318.402344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.402344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.402344 (E_RNA)
where:
Base-Base interactions energy: -209.693
where: short stacking energy: -94.186
Base-Backbone interact. energy: -0.295
local terms energy: -108.414114
where:
bonds (distance) C4'-P energy: -26.330
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -347.383230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.383230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.383230 (E_RNA)
where:
Base-Base interactions energy: -222.820
where: short stacking energy: -116.414
Base-Backbone interact. energy: 1.313
local terms energy: -125.875809
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -28.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -236.919417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.919417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.919417 (E_RNA)
where:
Base-Base interactions energy: -128.395
where: short stacking energy: -68.125
Base-Backbone interact. energy: 0.091
local terms energy: -108.615134
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -567.465170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.465170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.465170 (E_RNA)
where:
Base-Base interactions energy: -385.231
where: short stacking energy: -185.519
Base-Backbone interact. energy: 0.951
local terms energy: -183.184810
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -51.764
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: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -568.510143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.510143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.510143 (E_RNA)
where:
Base-Base interactions energy: -379.970
where: short stacking energy: -179.158
Base-Backbone interact. energy: -1.063
local terms energy: -187.476842
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -41.620
flat angles C4'-P-C4' energy: -36.148
flat angles P-C4'-P energy: -28.604
tors. eta vs tors. theta energy: -48.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -457.665386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.665386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.665386 (E_RNA)
where:
Base-Base interactions energy: -301.423
where: short stacking energy: -152.477
Base-Backbone interact. energy: -0.055
local terms energy: -156.188267
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -40.492
flat angles C4'-P-C4' energy: -30.173
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -31.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -482.827791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.827791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.827791 (E_RNA)
where:
Base-Base interactions energy: -329.762
where: short stacking energy: -151.453
Base-Backbone interact. energy: -1.219
local terms energy: -151.846401
where:
bonds (distance) C4'-P energy: -36.427
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -33.291
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -37.822
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: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -483.217937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.217937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.217937 (E_RNA)
where:
Base-Base interactions energy: -321.582
where: short stacking energy: -148.407
Base-Backbone interact. energy: -1.005
local terms energy: -160.630991
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -31.791
flat angles C4'-P-C4' energy: -36.113
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -38.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -456.348292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.348292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.348292 (E_RNA)
where:
Base-Base interactions energy: -309.731
where: short stacking energy: -152.377
Base-Backbone interact. energy: -0.206
local terms energy: -146.411390
where:
bonds (distance) C4'-P energy: -30.119
bonds (distance) P-C4' energy: -30.698
flat angles C4'-P-C4' energy: -34.083
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -35.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -335.403581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.403581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.403581 (E_RNA)
where:
Base-Base interactions energy: -199.771
where: short stacking energy: -92.260
Base-Backbone interact. energy: 0.289
local terms energy: -135.921619
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -33.617
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -323.623738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.623738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.623738 (E_RNA)
where:
Base-Base interactions energy: -191.769
where: short stacking energy: -90.949
Base-Backbone interact. energy: -1.094
local terms energy: -130.760739
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -32.814
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -237.833528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.833528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.833528 (E_RNA)
where:
Base-Base interactions energy: -127.616
where: short stacking energy: -65.305
Base-Backbone interact. energy: 0.815
local terms energy: -111.032198
where:
bonds (distance) C4'-P energy: -28.039
bonds (distance) P-C4' energy: -33.253
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -5.930
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: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -325.027565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.027565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.027565 (E_RNA)
where:
Base-Base interactions energy: -202.771
where: short stacking energy: -100.894
Base-Backbone interact. energy: 0.800
local terms energy: -123.056971
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -32.378
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -564.978024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.978024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.978024 (E_RNA)
where:
Base-Base interactions energy: -376.585
where: short stacking energy: -184.977
Base-Backbone interact. energy: -0.511
local terms energy: -187.882309
where:
bonds (distance) C4'-P energy: -34.040
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -29.110
tors. eta vs tors. theta energy: -55.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -556.961893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.961893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.961893 (E_RNA)
where:
Base-Base interactions energy: -378.841
where: short stacking energy: -183.492
Base-Backbone interact. energy: -0.501
local terms energy: -177.620110
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -33.923
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -53.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -477.220990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.220990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.220990 (E_RNA)
where:
Base-Base interactions energy: -309.627
where: short stacking energy: -162.507
Base-Backbone interact. energy: -0.655
local terms energy: -166.939221
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -39.715
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: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -492.489784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.489784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.489784 (E_RNA)
where:
Base-Base interactions energy: -333.137
where: short stacking energy: -144.027
Base-Backbone interact. energy: 1.224
local terms energy: -160.577021
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -30.774
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -35.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -476.374383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.374383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.374383 (E_RNA)
where:
Base-Base interactions energy: -308.341
where: short stacking energy: -141.605
Base-Backbone interact. energy: -0.571
local terms energy: -167.462604
where:
bonds (distance) C4'-P energy: -33.477
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -41.262
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -39.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -462.703717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.703717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.703717 (E_RNA)
where:
Base-Base interactions energy: -310.209
where: short stacking energy: -145.107
Base-Backbone interact. energy: -0.384
local terms energy: -152.110348
where:
bonds (distance) C4'-P energy: -35.799
bonds (distance) P-C4' energy: -31.544
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -37.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -361.019835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.019835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.019835 (E_RNA)
where:
Base-Base interactions energy: -231.220
where: short stacking energy: -116.148
Base-Backbone interact. energy: -0.251
local terms energy: -129.549071
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -29.721
flat angles C4'-P-C4' energy: -27.803
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -314.212723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.212723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.212723 (E_RNA)
where:
Base-Base interactions energy: -198.447
where: short stacking energy: -95.757
Base-Backbone interact. energy: -0.515
local terms energy: -115.250628
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -30.281
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -252.285432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.285432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.285432 (E_RNA)
where:
Base-Base interactions energy: -138.899
where: short stacking energy: -62.843
Base-Backbone interact. energy: 0.719
local terms energy: -114.106015
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -38.034
flat angles C4'-P-C4' energy: -27.023
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -5.700
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: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -297.688000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.688000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.688000 (E_RNA)
where:
Base-Base interactions energy: -169.865
where: short stacking energy: -87.824
Base-Backbone interact. energy: 0.290
local terms energy: -128.112613
where:
bonds (distance) C4'-P energy: -34.643
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -24.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -564.399682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.399682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.399682 (E_RNA)
where:
Base-Base interactions energy: -376.964
where: short stacking energy: -185.340
Base-Backbone interact. energy: -0.749
local terms energy: -186.686610
where:
bonds (distance) C4'-P energy: -31.310
bonds (distance) P-C4' energy: -37.344
flat angles C4'-P-C4' energy: -39.243
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -53.065
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: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -546.062790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.062790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.062790 (E_RNA)
where:
Base-Base interactions energy: -372.258
where: short stacking energy: -166.619
Base-Backbone interact. energy: 1.233
local terms energy: -175.038566
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -38.244
flat angles P-C4'-P energy: -25.801
tors. eta vs tors. theta energy: -40.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -524.751050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.751050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.751050 (E_RNA)
where:
Base-Base interactions energy: -361.589
where: short stacking energy: -159.150
Base-Backbone interact. energy: -0.848
local terms energy: -162.314523
where:
bonds (distance) C4'-P energy: -30.416
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -40.344
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: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -439.619634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.619634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.619634 (E_RNA)
where:
Base-Base interactions energy: -291.711
where: short stacking energy: -138.992
Base-Backbone interact. energy: 3.847
local terms energy: -151.755170
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -21.182
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: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -470.829456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.829456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.829456 (E_RNA)
where:
Base-Base interactions energy: -307.674
where: short stacking energy: -167.108
Base-Backbone interact. energy: -0.145
local terms energy: -163.011107
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -36.293
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -47.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -456.061434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.061434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.061434 (E_RNA)
where:
Base-Base interactions energy: -305.927
where: short stacking energy: -136.831
Base-Backbone interact. energy: -0.310
local terms energy: -149.825158
where:
bonds (distance) C4'-P energy: -23.014
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -33.492
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -38.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -322.409628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.409628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.409628 (E_RNA)
where:
Base-Base interactions energy: -185.629
where: short stacking energy: -100.911
Base-Backbone interact. energy: 0.001
local terms energy: -136.781117
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -30.176
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -28.472
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: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -319.585246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.585246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.585246 (E_RNA)
where:
Base-Base interactions energy: -181.915
where: short stacking energy: -93.073
Base-Backbone interact. energy: -0.645
local terms energy: -137.025169
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -314.607530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.607530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.607530 (E_RNA)
where:
Base-Base interactions energy: -195.530
where: short stacking energy: -87.658
Base-Backbone interact. energy: -0.925
local terms energy: -118.152270
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -28.846
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -15.771
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: 398
Temperature: 1.350000
Total energy: -237.679271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.679271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.679271 (E_RNA)
where:
Base-Base interactions energy: -130.874
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.858
local terms energy: -105.946688
where:
bonds (distance) C4'-P energy: -25.441
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -574.061303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.061303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.061303 (E_RNA)
where:
Base-Base interactions energy: -392.842
where: short stacking energy: -193.531
Base-Backbone interact. energy: -0.060
local terms energy: -181.159937
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -34.889
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -54.802
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: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -559.773048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.773048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.773048 (E_RNA)
where:
Base-Base interactions energy: -373.328
where: short stacking energy: -187.869
Base-Backbone interact. energy: 0.300
local terms energy: -186.745366
where:
bonds (distance) C4'-P energy: -31.347
bonds (distance) P-C4' energy: -35.175
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -54.350
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: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -513.985393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.985393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.985393 (E_RNA)
where:
Base-Base interactions energy: -339.336
where: short stacking energy: -161.617
Base-Backbone interact. energy: -1.042
local terms energy: -173.607596
where:
bonds (distance) C4'-P energy: -36.021
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -40.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -463.938862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.938862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.938862 (E_RNA)
where:
Base-Base interactions energy: -300.801
where: short stacking energy: -147.423
Base-Backbone interact. energy: -0.848
local terms energy: -162.290105
where:
bonds (distance) C4'-P energy: -30.456
bonds (distance) P-C4' energy: -33.613
flat angles C4'-P-C4' energy: -33.651
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -38.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -440.117071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.117071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.117071 (E_RNA)
where:
Base-Base interactions energy: -286.494
where: short stacking energy: -137.909
Base-Backbone interact. energy: -0.377
local terms energy: -153.245820
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -31.243
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -37.307
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: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -468.528213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.528213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.528213 (E_RNA)
where:
Base-Base interactions energy: -304.877
where: short stacking energy: -135.719
Base-Backbone interact. energy: -0.106
local terms energy: -163.545820
where:
bonds (distance) C4'-P energy: -34.126
bonds (distance) P-C4' energy: -36.998
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -40.005
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: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -330.194484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.194484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.194484 (E_RNA)
where:
Base-Base interactions energy: -188.642
where: short stacking energy: -108.181
Base-Backbone interact. energy: -0.376
local terms energy: -141.176121
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -33.465
flat angles C4'-P-C4' energy: -36.479
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -314.754592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.754592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.754592 (E_RNA)
where:
Base-Base interactions energy: -191.344
where: short stacking energy: -86.760
Base-Backbone interact. energy: -0.522
local terms energy: -122.889186
where:
bonds (distance) C4'-P energy: -28.501
bonds (distance) P-C4' energy: -32.882
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -14.992
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: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -314.436862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.436862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.436862 (E_RNA)
where:
Base-Base interactions energy: -192.175
where: short stacking energy: -91.761
Base-Backbone interact. energy: 2.436
local terms energy: -124.696924
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -32.738
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -221.016487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.016487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.016487 (E_RNA)
where:
Base-Base interactions energy: -113.212
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.507
local terms energy: -107.297263
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -20.176
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -577.505113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.505113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.505113 (E_RNA)
where:
Base-Base interactions energy: -387.952
where: short stacking energy: -191.918
Base-Backbone interact. energy: -0.202
local terms energy: -189.351274
where:
bonds (distance) C4'-P energy: -35.628
bonds (distance) P-C4' energy: -31.540
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -29.231
tors. eta vs tors. theta energy: -55.558
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: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -548.556668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.556668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.556668 (E_RNA)
where:
Base-Base interactions energy: -364.444
where: short stacking energy: -181.695
Base-Backbone interact. energy: -0.400
local terms energy: -183.712158
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -33.360
flat angles C4'-P-C4' energy: -41.618
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -49.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -482.095247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.095247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.095247 (E_RNA)
where:
Base-Base interactions energy: -303.900
where: short stacking energy: -158.768
Base-Backbone interact. energy: -0.647
local terms energy: -177.548313
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: -46.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -472.522258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.522258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.522258 (E_RNA)
where:
Base-Base interactions energy: -304.149
where: short stacking energy: -142.004
Base-Backbone interact. energy: -0.209
local terms energy: -168.163480
where:
bonds (distance) C4'-P energy: -33.835
bonds (distance) P-C4' energy: -37.410
flat angles C4'-P-C4' energy: -33.935
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -34.867
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: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -481.295788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.295788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.295788 (E_RNA)
where:
Base-Base interactions energy: -318.049
where: short stacking energy: -160.080
Base-Backbone interact. energy: -0.342
local terms energy: -162.904179
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -26.581
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: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -382.210266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.210266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.210266 (E_RNA)
where:
Base-Base interactions energy: -244.360
where: short stacking energy: -118.510
Base-Backbone interact. energy: 0.375
local terms energy: -138.225619
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -36.698
flat angles C4'-P-C4' energy: -30.185
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: -24.859
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: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -336.721389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.721389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.721389 (E_RNA)
where:
Base-Base interactions energy: -205.351
where: short stacking energy: -95.649
Base-Backbone interact. energy: -0.091
local terms energy: -131.279114
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -337.256067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.256067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.256067 (E_RNA)
where:
Base-Base interactions energy: -191.638
where: short stacking energy: -74.452
Base-Backbone interact. energy: -0.543
local terms energy: -145.074666
where:
bonds (distance) C4'-P energy: -35.832
bonds (distance) P-C4' energy: -32.283
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -25.880
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: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -306.292696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.292696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.292696 (E_RNA)
where:
Base-Base interactions energy: -189.059
where: short stacking energy: -86.719
Base-Backbone interact. energy: 2.061
local terms energy: -119.293868
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -28.585
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -225.199247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.199247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.199247 (E_RNA)
where:
Base-Base interactions energy: -121.697
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.748
local terms energy: -102.753656
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -576.365081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.365081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.365081 (E_RNA)
where:
Base-Base interactions energy: -380.258
where: short stacking energy: -189.108
Base-Backbone interact. energy: 0.282
local terms energy: -196.388946
where:
bonds (distance) C4'-P energy: -36.179
bonds (distance) P-C4' energy: -36.787
flat angles C4'-P-C4' energy: -36.690
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -55.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -566.574026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.574026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.574026 (E_RNA)
where:
Base-Base interactions energy: -378.094
where: short stacking energy: -183.652
Base-Backbone interact. energy: -1.529
local terms energy: -186.951570
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -35.825
flat angles C4'-P-C4' energy: -38.976
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -52.375
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: 401
Temperature: 1.000000
Total energy: -481.977238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.977238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.977238 (E_RNA)
where:
Base-Base interactions energy: -316.333
where: short stacking energy: -151.025
Base-Backbone interact. energy: -1.838
local terms energy: -163.805715
where:
bonds (distance) C4'-P energy: -31.794
bonds (distance) P-C4' energy: -30.082
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -26.304
tors. eta vs tors. theta energy: -41.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -487.146186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.146186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.146186 (E_RNA)
where:
Base-Base interactions energy: -325.288
where: short stacking energy: -153.139
Base-Backbone interact. energy: 0.555
local terms energy: -162.412712
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -37.531
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: -37.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -469.313084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.313084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.313084 (E_RNA)
where:
Base-Base interactions energy: -300.345
where: short stacking energy: -139.599
Base-Backbone interact. energy: -0.780
local terms energy: -168.187813
where:
bonds (distance) C4'-P energy: -36.164
bonds (distance) P-C4' energy: -38.208
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -36.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -407.160655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.160655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.160655 (E_RNA)
where:
Base-Base interactions energy: -269.831
where: short stacking energy: -132.586
Base-Backbone interact. energy: 3.421
local terms energy: -140.750836
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -31.801
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -27.195
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: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -311.979941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.979941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.979941 (E_RNA)
where:
Base-Base interactions energy: -186.335
where: short stacking energy: -86.726
Base-Backbone interact. energy: -0.226
local terms energy: -125.418645
where:
bonds (distance) C4'-P energy: -36.355
bonds (distance) P-C4' energy: -40.001
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -8.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -328.487588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.487588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.487588 (E_RNA)
where:
Base-Base interactions energy: -206.625
where: short stacking energy: -85.985
Base-Backbone interact. energy: -0.650
local terms energy: -121.212551
where:
bonds (distance) C4'-P energy: -30.839
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -30.527
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -13.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -306.103414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.103414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.103414 (E_RNA)
where:
Base-Base interactions energy: -185.538
where: short stacking energy: -81.790
Base-Backbone interact. energy: 0.173
local terms energy: -120.738254
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -31.669
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -210.889823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.889823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.889823 (E_RNA)
where:
Base-Base interactions energy: -112.559
where: short stacking energy: -63.240
Base-Backbone interact. energy: -1.952
local terms energy: -96.378333
where:
bonds (distance) C4'-P energy: -29.697
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -578.068627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.068627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.068627 (E_RNA)
where:
Base-Base interactions energy: -394.331
where: short stacking energy: -191.977
Base-Backbone interact. energy: -0.337
local terms energy: -183.401042
where:
bonds (distance) C4'-P energy: -34.677
bonds (distance) P-C4' energy: -29.997
flat angles C4'-P-C4' energy: -37.824
flat angles P-C4'-P energy: -27.200
tors. eta vs tors. theta energy: -53.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -560.964310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.964310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.964310 (E_RNA)
where:
Base-Base interactions energy: -378.887
where: short stacking energy: -181.854
Base-Backbone interact. energy: 0.755
local terms energy: -182.832576
where:
bonds (distance) C4'-P energy: -30.677
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -43.001
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -51.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -508.464585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.464585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.464585 (E_RNA)
where:
Base-Base interactions energy: -334.594
where: short stacking energy: -152.553
Base-Backbone interact. energy: 1.216
local terms energy: -175.086378
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -32.980
flat angles C4'-P-C4' energy: -42.849
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -42.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -469.189087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.189087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.189087 (E_RNA)
where:
Base-Base interactions energy: -307.805
where: short stacking energy: -145.262
Base-Backbone interact. energy: -0.641
local terms energy: -160.743031
where:
bonds (distance) C4'-P energy: -30.255
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -34.660
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -34.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -464.376851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.376851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.376851 (E_RNA)
where:
Base-Base interactions energy: -301.746
where: short stacking energy: -139.963
Base-Backbone interact. energy: -0.828
local terms energy: -161.802835
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -28.860
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -28.304
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: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -404.447709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.447709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.447709 (E_RNA)
where:
Base-Base interactions energy: -262.758
where: short stacking energy: -147.216
Base-Backbone interact. energy: -0.421
local terms energy: -141.268647
where:
bonds (distance) C4'-P energy: -27.053
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -37.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -382.760849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.760849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.760849 (E_RNA)
where:
Base-Base interactions energy: -242.387
where: short stacking energy: -118.789
Base-Backbone interact. energy: -1.427
local terms energy: -138.946646
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -23.662
tors. eta vs tors. theta energy: -27.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -310.328910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.328910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.328910 (E_RNA)
where:
Base-Base interactions energy: -183.631
where: short stacking energy: -104.507
Base-Backbone interact. energy: -1.290
local terms energy: -125.407815
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -296.723825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.723825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.723825 (E_RNA)
where:
Base-Base interactions energy: -177.791
where: short stacking energy: -84.243
Base-Backbone interact. energy: -0.632
local terms energy: -118.300497
where:
bonds (distance) C4'-P energy: -30.349
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -20.066
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: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -248.748264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.748264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.748264 (E_RNA)
where:
Base-Base interactions energy: -146.763
where: short stacking energy: -76.698
Base-Backbone interact. energy: -0.860
local terms energy: -101.124470
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -8.266
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: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -571.712838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.712838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.712838 (E_RNA)
where:
Base-Base interactions energy: -375.430
where: short stacking energy: -186.292
Base-Backbone interact. energy: 0.688
local terms energy: -196.971038
where:
bonds (distance) C4'-P energy: -36.526
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -38.777
flat angles P-C4'-P energy: -29.716
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: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -563.024876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.024876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.024876 (E_RNA)
where:
Base-Base interactions energy: -372.706
where: short stacking energy: -187.793
Base-Backbone interact. energy: -0.891
local terms energy: -189.427565
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -33.530
flat angles C4'-P-C4' energy: -40.127
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -55.506
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: 403
Temperature: 1.000000
Total energy: -490.064790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.064790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.064790 (E_RNA)
where:
Base-Base interactions energy: -336.731
where: short stacking energy: -149.363
Base-Backbone interact. energy: -0.763
local terms energy: -152.570688
where:
bonds (distance) C4'-P energy: -28.925
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -33.254
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -35.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -491.166307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.166307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.166307 (E_RNA)
where:
Base-Base interactions energy: -322.984
where: short stacking energy: -151.208
Base-Backbone interact. energy: -0.399
local terms energy: -167.783964
where:
bonds (distance) C4'-P energy: -35.176
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -33.138
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -39.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -479.406042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.406042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.406042 (E_RNA)
where:
Base-Base interactions energy: -336.859
where: short stacking energy: -158.727
Base-Backbone interact. energy: 0.349
local terms energy: -142.895477
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -29.277
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -45.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -409.894486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.894486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.894486 (E_RNA)
where:
Base-Base interactions energy: -261.762
where: short stacking energy: -137.649
Base-Backbone interact. energy: -0.506
local terms energy: -147.625853
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -39.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -405.342791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.342791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.342791 (E_RNA)
where:
Base-Base interactions energy: -265.773
where: short stacking energy: -124.869
Base-Backbone interact. energy: -0.536
local terms energy: -139.033740
where:
bonds (distance) C4'-P energy: -27.861
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -34.168
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -315.051515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.051515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.051515 (E_RNA)
where:
Base-Base interactions energy: -193.788
where: short stacking energy: -95.632
Base-Backbone interact. energy: 1.403
local terms energy: -122.666750
where:
bonds (distance) C4'-P energy: -27.508
bonds (distance) P-C4' energy: -32.166
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -291.415307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.415307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.415307 (E_RNA)
where:
Base-Base interactions energy: -166.703
where: short stacking energy: -73.417
Base-Backbone interact. energy: -2.084
local terms energy: -122.628319
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -31.416
flat angles C4'-P-C4' energy: -32.661
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: -7.487
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: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -285.083019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.083019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.083019 (E_RNA)
where:
Base-Base interactions energy: -172.557
where: short stacking energy: -86.662
Base-Backbone interact. energy: -0.708
local terms energy: -111.817254
where:
bonds (distance) C4'-P energy: -25.078
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -14.841
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: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -578.794551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.794551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.794551 (E_RNA)
where:
Base-Base interactions energy: -388.731
where: short stacking energy: -199.558
Base-Backbone interact. energy: -0.045
local terms energy: -190.017990
where:
bonds (distance) C4'-P energy: -35.964
bonds (distance) P-C4' energy: -35.977
flat angles C4'-P-C4' energy: -37.273
flat angles P-C4'-P energy: -24.574
tors. eta vs tors. theta energy: -56.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -558.624712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.624712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.624712 (E_RNA)
where:
Base-Base interactions energy: -374.867
where: short stacking energy: -177.870
Base-Backbone interact. energy: -0.531
local terms energy: -183.227278
where:
bonds (distance) C4'-P energy: -35.422
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -39.454
flat angles P-C4'-P energy: -32.105
tors. eta vs tors. theta energy: -49.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -492.452612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.452612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.452612 (E_RNA)
where:
Base-Base interactions energy: -327.337
where: short stacking energy: -149.015
Base-Backbone interact. energy: -0.087
local terms energy: -165.028566
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -33.037
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -40.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -496.456832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.456832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.456832 (E_RNA)
where:
Base-Base interactions energy: -343.782
where: short stacking energy: -150.385
Base-Backbone interact. energy: 0.303
local terms energy: -152.977420
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -30.118
flat angles C4'-P-C4' energy: -35.559
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -34.158
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: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -463.797863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.797863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.797863 (E_RNA)
where:
Base-Base interactions energy: -307.236
where: short stacking energy: -143.111
Base-Backbone interact. energy: -3.599
local terms energy: -152.963397
where:
bonds (distance) C4'-P energy: -30.166
bonds (distance) P-C4' energy: -34.895
flat angles C4'-P-C4' energy: -34.414
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -33.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -431.918301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.918301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.918301 (E_RNA)
where:
Base-Base interactions energy: -277.801
where: short stacking energy: -136.387
Base-Backbone interact. energy: -0.059
local terms energy: -154.058047
where:
bonds (distance) C4'-P energy: -28.927
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -27.043
flat angles P-C4'-P energy: -28.925
tors. eta vs tors. theta energy: -38.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -319.801554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.801554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.801554 (E_RNA)
where:
Base-Base interactions energy: -190.624
where: short stacking energy: -104.454
Base-Backbone interact. energy: 0.473
local terms energy: -129.650569
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -31.339
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -21.435
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: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -349.014034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.014034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.014034 (E_RNA)
where:
Base-Base interactions energy: -227.396
where: short stacking energy: -110.408
Base-Backbone interact. energy: -0.266
local terms energy: -121.351559
where:
bonds (distance) C4'-P energy: -32.879
bonds (distance) P-C4' energy: -27.129
flat angles C4'-P-C4' energy: -25.076
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -257.519910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.519910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.519910 (E_RNA)
where:
Base-Base interactions energy: -145.632
where: short stacking energy: -75.662
Base-Backbone interact. energy: 0.480
local terms energy: -112.368024
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -291.452081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.452081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.452081 (E_RNA)
where:
Base-Base interactions energy: -178.774
where: short stacking energy: -90.389
Base-Backbone interact. energy: -0.719
local terms energy: -111.959438
where:
bonds (distance) C4'-P energy: -33.274
bonds (distance) P-C4' energy: -29.979
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -574.420428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.420428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.420428 (E_RNA)
where:
Base-Base interactions energy: -388.812
where: short stacking energy: -183.864
Base-Backbone interact. energy: -0.029
local terms energy: -185.580036
where:
bonds (distance) C4'-P energy: -33.852
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -39.443
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -51.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -556.544361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.544361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.544361 (E_RNA)
where:
Base-Base interactions energy: -378.349
where: short stacking energy: -179.999
Base-Backbone interact. energy: -0.155
local terms energy: -178.040403
where:
bonds (distance) C4'-P energy: -30.823
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -34.444
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: -49.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -519.244752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.244752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.244752 (E_RNA)
where:
Base-Base interactions energy: -325.883
where: short stacking energy: -155.777
Base-Backbone interact. energy: -0.609
local terms energy: -192.751931
where:
bonds (distance) C4'-P energy: -37.029
bonds (distance) P-C4' energy: -42.333
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -43.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -495.357320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.357320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.357320 (E_RNA)
where:
Base-Base interactions energy: -327.064
where: short stacking energy: -146.533
Base-Backbone interact. energy: -0.560
local terms energy: -167.734167
where:
bonds (distance) C4'-P energy: -36.730
bonds (distance) P-C4' energy: -33.079
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -21.152
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: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -430.126060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.126060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.126060 (E_RNA)
where:
Base-Base interactions energy: -282.552
where: short stacking energy: -114.171
Base-Backbone interact. energy: 0.057
local terms energy: -147.631102
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -33.344
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -27.015
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: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -421.306133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.306133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.306133 (E_RNA)
where:
Base-Base interactions energy: -276.120
where: short stacking energy: -133.522
Base-Backbone interact. energy: -0.206
local terms energy: -144.980470
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -29.859
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -32.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -321.212339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.212339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.212339 (E_RNA)
where:
Base-Base interactions energy: -197.903
where: short stacking energy: -98.110
Base-Backbone interact. energy: -0.351
local terms energy: -122.957545
where:
bonds (distance) C4'-P energy: -27.846
bonds (distance) P-C4' energy: -36.939
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -301.628282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.628282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.628282 (E_RNA)
where:
Base-Base interactions energy: -172.183
where: short stacking energy: -85.370
Base-Backbone interact. energy: -0.352
local terms energy: -129.093451
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -34.483
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -268.952713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.952713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.952713 (E_RNA)
where:
Base-Base interactions energy: -155.231
where: short stacking energy: -76.716
Base-Backbone interact. energy: -1.200
local terms energy: -112.522463
where:
bonds (distance) C4'-P energy: -33.601
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -31.225
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -6.876
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: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -304.871194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.871194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.871194 (E_RNA)
where:
Base-Base interactions energy: -190.549
where: short stacking energy: -92.061
Base-Backbone interact. energy: -0.750
local terms energy: -113.572477
where:
bonds (distance) C4'-P energy: -29.609
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -18.870
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -572.743590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.743590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.743590 (E_RNA)
where:
Base-Base interactions energy: -384.990
where: short stacking energy: -183.342
Base-Backbone interact. energy: -0.038
local terms energy: -187.716146
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -32.468
flat angles C4'-P-C4' energy: -39.945
flat angles P-C4'-P energy: -26.946
tors. eta vs tors. theta energy: -58.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -563.148798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.148798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.148798 (E_RNA)
where:
Base-Base interactions energy: -383.488
where: short stacking energy: -185.537
Base-Backbone interact. energy: -0.528
local terms energy: -179.132927
where:
bonds (distance) C4'-P energy: -32.202
bonds (distance) P-C4' energy: -32.153
flat angles C4'-P-C4' energy: -34.737
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -54.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -511.124280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.124280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.124280 (E_RNA)
where:
Base-Base interactions energy: -343.721
where: short stacking energy: -161.857
Base-Backbone interact. energy: -0.643
local terms energy: -166.760157
where:
bonds (distance) C4'-P energy: -35.809
bonds (distance) P-C4' energy: -27.929
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -24.137
tors. eta vs tors. theta energy: -41.907
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: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -492.568037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.568037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.568037 (E_RNA)
where:
Base-Base interactions energy: -330.358
where: short stacking energy: -153.755
Base-Backbone interact. energy: -0.014
local terms energy: -162.195297
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -25.206
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -417.817532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.817532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.817532 (E_RNA)
where:
Base-Base interactions energy: -266.635
where: short stacking energy: -120.633
Base-Backbone interact. energy: -0.226
local terms energy: -150.956210
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -31.285
flat angles C4'-P-C4' energy: -35.959
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -399.058164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.058164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.058164 (E_RNA)
where:
Base-Base interactions energy: -257.466
where: short stacking energy: -128.121
Base-Backbone interact. energy: 0.542
local terms energy: -142.133984
where:
bonds (distance) C4'-P energy: -27.771
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -25.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -338.343397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.343397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.343397 (E_RNA)
where:
Base-Base interactions energy: -207.549
where: short stacking energy: -95.395
Base-Backbone interact. energy: 0.135
local terms energy: -130.928917
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -29.083
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -357.431499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.431499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.431499 (E_RNA)
where:
Base-Base interactions energy: -239.000
where: short stacking energy: -120.519
Base-Backbone interact. energy: -0.356
local terms energy: -118.075526
where:
bonds (distance) C4'-P energy: -29.409
bonds (distance) P-C4' energy: -27.228
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -301.306276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.306276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.306276 (E_RNA)
where:
Base-Base interactions energy: -181.175
where: short stacking energy: -96.958
Base-Backbone interact. energy: -0.445
local terms energy: -119.685816
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -25.560
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -22.926
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: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -238.862090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.862090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.862090 (E_RNA)
where:
Base-Base interactions energy: -122.750
where: short stacking energy: -75.215
Base-Backbone interact. energy: 0.550
local terms energy: -116.662835
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -587.237525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.237525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.237525 (E_RNA)
where:
Base-Base interactions energy: -398.330
where: short stacking energy: -202.702
Base-Backbone interact. energy: -0.056
local terms energy: -188.851966
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -39.509
flat angles C4'-P-C4' energy: -41.070
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: -55.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -539.580815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.580815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.580815 (E_RNA)
where:
Base-Base interactions energy: -356.893
where: short stacking energy: -174.482
Base-Backbone interact. energy: 0.212
local terms energy: -182.899228
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -34.969
flat angles C4'-P-C4' energy: -42.755
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -517.369555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.369555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.369555 (E_RNA)
where:
Base-Base interactions energy: -339.682
where: short stacking energy: -145.431
Base-Backbone interact. energy: -0.863
local terms energy: -176.824237
where:
bonds (distance) C4'-P energy: -37.141
bonds (distance) P-C4' energy: -33.730
flat angles C4'-P-C4' energy: -40.059
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -34.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -501.618854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.618854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.618854 (E_RNA)
where:
Base-Base interactions energy: -344.957
where: short stacking energy: -164.416
Base-Backbone interact. energy: -0.110
local terms energy: -156.552461
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -47.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -457.507030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.507030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.507030 (E_RNA)
where:
Base-Base interactions energy: -297.728
where: short stacking energy: -149.002
Base-Backbone interact. energy: -0.330
local terms energy: -159.449288
where:
bonds (distance) C4'-P energy: -29.531
bonds (distance) P-C4' energy: -25.898
flat angles C4'-P-C4' energy: -39.252
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -39.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -403.105521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.105521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.105521 (E_RNA)
where:
Base-Base interactions energy: -249.305
where: short stacking energy: -120.909
Base-Backbone interact. energy: -0.083
local terms energy: -153.717177
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -28.787
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -31.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -346.003327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.003327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.003327 (E_RNA)
where:
Base-Base interactions energy: -207.060
where: short stacking energy: -108.283
Base-Backbone interact. energy: 0.837
local terms energy: -139.780342
where:
bonds (distance) C4'-P energy: -31.193
bonds (distance) P-C4' energy: -31.018
flat angles C4'-P-C4' energy: -35.794
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -314.619841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.619841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.619841 (E_RNA)
where:
Base-Base interactions energy: -197.225
where: short stacking energy: -99.795
Base-Backbone interact. energy: -0.288
local terms energy: -117.107028
where:
bonds (distance) C4'-P energy: -28.705
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -20.579
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: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -311.435265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.435265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.435265 (E_RNA)
where:
Base-Base interactions energy: -194.064
where: short stacking energy: -95.703
Base-Backbone interact. energy: -0.258
local terms energy: -117.112979
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -30.117
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -222.318556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.318556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.318556 (E_RNA)
where:
Base-Base interactions energy: -128.727
where: short stacking energy: -64.353
Base-Backbone interact. energy: -1.316
local terms energy: -92.276402
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -571.260623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.260623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.260623 (E_RNA)
where:
Base-Base interactions energy: -379.726
where: short stacking energy: -191.807
Base-Backbone interact. energy: -0.176
local terms energy: -191.357755
where:
bonds (distance) C4'-P energy: -36.697
bonds (distance) P-C4' energy: -34.678
flat angles C4'-P-C4' energy: -37.577
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -58.358
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: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -535.860359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.860359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.860359 (E_RNA)
where:
Base-Base interactions energy: -363.318
where: short stacking energy: -179.822
Base-Backbone interact. energy: -0.057
local terms energy: -172.485487
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -49.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -513.432764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.432764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.432764 (E_RNA)
where:
Base-Base interactions energy: -339.546
where: short stacking energy: -154.641
Base-Backbone interact. energy: -0.684
local terms energy: -173.203156
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -38.659
flat angles C4'-P-C4' energy: -34.626
flat angles P-C4'-P energy: -29.551
tors. eta vs tors. theta energy: -37.421
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: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -489.512615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.512615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.512615 (E_RNA)
where:
Base-Base interactions energy: -328.195
where: short stacking energy: -145.359
Base-Backbone interact. energy: -0.590
local terms energy: -160.728003
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -37.859
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -32.439
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: 408
Temperature: 1.100000
Total energy: -432.962487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.962487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.962487 (E_RNA)
where:
Base-Base interactions energy: -268.516
where: short stacking energy: -137.511
Base-Backbone interact. energy: -0.325
local terms energy: -164.121120
where:
bonds (distance) C4'-P energy: -36.373
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -32.464
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -38.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -402.417773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.417773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.417773 (E_RNA)
where:
Base-Base interactions energy: -254.754
where: short stacking energy: -124.980
Base-Backbone interact. energy: -0.281
local terms energy: -147.382512
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -32.569
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -24.613
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: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -362.524323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.524323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.524323 (E_RNA)
where:
Base-Base interactions energy: -225.377
where: short stacking energy: -118.148
Base-Backbone interact. energy: -0.287
local terms energy: -136.859745
where:
bonds (distance) C4'-P energy: -28.671
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -26.107
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: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -331.276827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.276827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.276827 (E_RNA)
where:
Base-Base interactions energy: -208.127
where: short stacking energy: -87.742
Base-Backbone interact. energy: -1.011
local terms energy: -122.138282
where:
bonds (distance) C4'-P energy: -24.991
bonds (distance) P-C4' energy: -32.412
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -23.258
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -294.247811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.247811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.247811 (E_RNA)
where:
Base-Base interactions energy: -188.562
where: short stacking energy: -100.976
Base-Backbone interact. energy: 1.056
local terms energy: -106.742002
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -252.577810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.577810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.577810 (E_RNA)
where:
Base-Base interactions energy: -144.686
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.824
local terms energy: -107.068491
where:
bonds (distance) C4'-P energy: -26.610
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: -6.951
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: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -568.370533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.370533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.370533 (E_RNA)
where:
Base-Base interactions energy: -369.399
where: short stacking energy: -183.333
Base-Backbone interact. energy: 0.072
local terms energy: -199.043529
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -27.414
tors. eta vs tors. theta energy: -51.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -516.026644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.026644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.026644 (E_RNA)
where:
Base-Base interactions energy: -341.152
where: short stacking energy: -165.102
Base-Backbone interact. energy: 3.075
local terms energy: -177.948900
where:
bonds (distance) C4'-P energy: -35.125
bonds (distance) P-C4' energy: -39.516
flat angles C4'-P-C4' energy: -39.456
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -42.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -532.965894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.965894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.965894 (E_RNA)
where:
Base-Base interactions energy: -366.024
where: short stacking energy: -169.019
Base-Backbone interact. energy: 0.053
local terms energy: -166.995380
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -38.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -509.142713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.142713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.142713 (E_RNA)
where:
Base-Base interactions energy: -332.870
where: short stacking energy: -161.247
Base-Backbone interact. energy: -0.381
local terms energy: -175.891104
where:
bonds (distance) C4'-P energy: -28.615
bonds (distance) P-C4' energy: -34.425
flat angles C4'-P-C4' energy: -38.478
flat angles P-C4'-P energy: -27.676
tors. eta vs tors. theta energy: -46.697
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: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -433.306230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.306230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.306230 (E_RNA)
where:
Base-Base interactions energy: -281.309
where: short stacking energy: -123.876
Base-Backbone interact. energy: -0.261
local terms energy: -151.736294
where:
bonds (distance) C4'-P energy: -30.328
bonds (distance) P-C4' energy: -33.432
flat angles C4'-P-C4' energy: -38.800
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -30.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -422.146560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.146560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.146560 (E_RNA)
where:
Base-Base interactions energy: -268.493
where: short stacking energy: -137.471
Base-Backbone interact. energy: -0.162
local terms energy: -153.491317
where:
bonds (distance) C4'-P energy: -33.537
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -32.333
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -33.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -351.361528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.361528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.361528 (E_RNA)
where:
Base-Base interactions energy: -205.352
where: short stacking energy: -109.359
Base-Backbone interact. energy: -0.444
local terms energy: -145.565599
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -31.410
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -314.866182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.866182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.866182 (E_RNA)
where:
Base-Base interactions energy: -186.499
where: short stacking energy: -98.125
Base-Backbone interact. energy: -0.337
local terms energy: -128.029708
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -27.711
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -319.861994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.861994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.861994 (E_RNA)
where:
Base-Base interactions energy: -189.300
where: short stacking energy: -90.180
Base-Backbone interact. energy: -1.065
local terms energy: -129.496896
where:
bonds (distance) C4'-P energy: -33.516
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -12.677
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: 409
Temperature: 1.350000
Total energy: -236.442699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.442699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.442699 (E_RNA)
where:
Base-Base interactions energy: -134.964
where: short stacking energy: -73.361
Base-Backbone interact. energy: -0.430
local terms energy: -101.049160
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -29.356
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -13.391
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: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -572.867554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.867554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.867554 (E_RNA)
where:
Base-Base interactions energy: -375.943
where: short stacking energy: -189.463
Base-Backbone interact. energy: -0.239
local terms energy: -196.686068
where:
bonds (distance) C4'-P energy: -32.168
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -40.908
flat angles P-C4'-P energy: -30.079
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: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -519.079356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.079356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.079356 (E_RNA)
where:
Base-Base interactions energy: -346.686
where: short stacking energy: -167.037
Base-Backbone interact. energy: -0.085
local terms energy: -172.308106
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -32.047
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -30.479
tors. eta vs tors. theta energy: -43.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -531.798707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.798707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.798707 (E_RNA)
where:
Base-Base interactions energy: -356.377
where: short stacking energy: -161.200
Base-Backbone interact. energy: -0.434
local terms energy: -174.988346
where:
bonds (distance) C4'-P energy: -37.295
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -37.361
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -40.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -505.981985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.981985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.981985 (E_RNA)
where:
Base-Base interactions energy: -327.281
where: short stacking energy: -160.485
Base-Backbone interact. energy: 0.067
local terms energy: -178.768483
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -45.148
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: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -455.127784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.127784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.127784 (E_RNA)
where:
Base-Base interactions energy: -290.494
where: short stacking energy: -153.461
Base-Backbone interact. energy: -0.084
local terms energy: -164.550198
where:
bonds (distance) C4'-P energy: -36.917
bonds (distance) P-C4' energy: -30.213
flat angles C4'-P-C4' energy: -30.765
flat angles P-C4'-P energy: -25.652
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: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -410.386987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.386987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.386987 (E_RNA)
where:
Base-Base interactions energy: -260.572
where: short stacking energy: -122.540
Base-Backbone interact. energy: -0.087
local terms energy: -149.728026
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -32.236
flat angles C4'-P-C4' energy: -33.155
flat angles P-C4'-P energy: -26.002
tors. eta vs tors. theta energy: -33.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -340.278536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.278536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.278536 (E_RNA)
where:
Base-Base interactions energy: -187.467
where: short stacking energy: -109.472
Base-Backbone interact. energy: -0.189
local terms energy: -152.622679
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -35.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -339.701119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.701119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.701119 (E_RNA)
where:
Base-Base interactions energy: -212.952
where: short stacking energy: -106.234
Base-Backbone interact. energy: -0.081
local terms energy: -126.668417
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -21.332
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -324.034311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.034311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.034311 (E_RNA)
where:
Base-Base interactions energy: -196.375
where: short stacking energy: -93.455
Base-Backbone interact. energy: -0.259
local terms energy: -127.400921
where:
bonds (distance) C4'-P energy: -36.245
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -235.315382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.315382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.315382 (E_RNA)
where:
Base-Base interactions energy: -135.102
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.958
local terms energy: -99.255605
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -1.964
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: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -568.262184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.262184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.262184 (E_RNA)
where:
Base-Base interactions energy: -382.823
where: short stacking energy: -182.338
Base-Backbone interact. energy: -0.543
local terms energy: -184.896983
where:
bonds (distance) C4'-P energy: -39.466
bonds (distance) P-C4' energy: -30.106
flat angles C4'-P-C4' energy: -38.138
flat angles P-C4'-P energy: -24.216
tors. eta vs tors. theta energy: -52.971
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: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -531.068122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.068122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.068122 (E_RNA)
where:
Base-Base interactions energy: -351.168
where: short stacking energy: -170.394
Base-Backbone interact. energy: -0.239
local terms energy: -179.661764
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -38.313
flat angles C4'-P-C4' energy: -35.415
flat angles P-C4'-P energy: -24.310
tors. eta vs tors. theta energy: -45.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -514.250873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.250873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.250873 (E_RNA)
where:
Base-Base interactions energy: -336.069
where: short stacking energy: -168.590
Base-Backbone interact. energy: -0.545
local terms energy: -177.636492
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -34.401
flat angles C4'-P-C4' energy: -34.691
flat angles P-C4'-P energy: -27.023
tors. eta vs tors. theta energy: -45.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -509.483988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.483988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.483988 (E_RNA)
where:
Base-Base interactions energy: -337.507
where: short stacking energy: -163.350
Base-Backbone interact. energy: -0.791
local terms energy: -171.186258
where:
bonds (distance) C4'-P energy: -31.263
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -47.137
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: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -430.110910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.110910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.110910 (E_RNA)
where:
Base-Base interactions energy: -271.431
where: short stacking energy: -133.043
Base-Backbone interact. energy: -0.042
local terms energy: -158.637451
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -35.807
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -34.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -417.599783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.599783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.599783 (E_RNA)
where:
Base-Base interactions energy: -268.088
where: short stacking energy: -132.031
Base-Backbone interact. energy: -0.663
local terms energy: -148.848620
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -24.474
tors. eta vs tors. theta energy: -34.144
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: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -348.711324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.711324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.711324 (E_RNA)
where:
Base-Base interactions energy: -223.046
where: short stacking energy: -108.322
Base-Backbone interact. energy: 1.960
local terms energy: -127.624777
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -30.083
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -27.605
tors. eta vs tors. theta energy: -23.295
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: 411
Temperature: 1.250000
Total energy: -313.244824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.244824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.244824 (E_RNA)
where:
Base-Base interactions energy: -166.637
where: short stacking energy: -81.684
Base-Backbone interact. energy: -0.421
local terms energy: -146.186279
where:
bonds (distance) C4'-P energy: -36.124
bonds (distance) P-C4' energy: -37.261
flat angles C4'-P-C4' energy: -33.480
flat angles P-C4'-P energy: -20.854
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: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -313.548249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.548249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.548249 (E_RNA)
where:
Base-Base interactions energy: -195.630
where: short stacking energy: -86.059
Base-Backbone interact. energy: -0.323
local terms energy: -117.594395
where:
bonds (distance) C4'-P energy: -26.770
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -15.317
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: 411
Temperature: 1.350000
Total energy: -234.029133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.029133 (E_RNA)
where:
Base-Base interactions energy: -107.523
where: short stacking energy: -65.468
Base-Backbone interact. energy: 1.280
local terms energy: -127.785865
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -32.089
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -569.592804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.592804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.592804 (E_RNA)
where:
Base-Base interactions energy: -371.896
where: short stacking energy: -179.014
Base-Backbone interact. energy: -0.204
local terms energy: -197.493385
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -39.099
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -55.049
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: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -530.361665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.361665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.361665 (E_RNA)
where:
Base-Base interactions energy: -348.732
where: short stacking energy: -175.279
Base-Backbone interact. energy: -0.004
local terms energy: -181.625948
where:
bonds (distance) C4'-P energy: -34.258
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -38.071
flat angles P-C4'-P energy: -26.789
tors. eta vs tors. theta energy: -49.620
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: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -518.507568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.507568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.507568 (E_RNA)
where:
Base-Base interactions energy: -339.588
where: short stacking energy: -173.900
Base-Backbone interact. energy: 0.130
local terms energy: -179.049596
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -38.149
flat angles C4'-P-C4' energy: -35.264
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -47.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -486.003236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.003236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.003236 (E_RNA)
where:
Base-Base interactions energy: -312.281
where: short stacking energy: -153.092
Base-Backbone interact. energy: -0.234
local terms energy: -173.488342
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -40.552
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: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -431.909455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.909455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.909455 (E_RNA)
where:
Base-Base interactions energy: -282.903
where: short stacking energy: -139.397
Base-Backbone interact. energy: 2.434
local terms energy: -151.440570
where:
bonds (distance) C4'-P energy: -29.859
bonds (distance) P-C4' energy: -29.187
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -36.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -393.829051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.829051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.829051 (E_RNA)
where:
Base-Base interactions energy: -253.567
where: short stacking energy: -137.504
Base-Backbone interact. energy: -0.160
local terms energy: -140.102473
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -34.893
flat angles C4'-P-C4' energy: -25.953
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -31.758
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: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -341.478424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.478424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.478424 (E_RNA)
where:
Base-Base interactions energy: -199.020
where: short stacking energy: -99.990
Base-Backbone interact. energy: 3.454
local terms energy: -145.913117
where:
bonds (distance) C4'-P energy: -33.394
bonds (distance) P-C4' energy: -28.345
flat angles C4'-P-C4' energy: -38.331
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -26.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -325.655408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.655408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.655408 (E_RNA)
where:
Base-Base interactions energy: -213.147
where: short stacking energy: -92.937
Base-Backbone interact. energy: 0.344
local terms energy: -112.851753
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -324.619352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.619352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.619352 (E_RNA)
where:
Base-Base interactions energy: -211.969
where: short stacking energy: -95.152
Base-Backbone interact. energy: -0.305
local terms energy: -112.344788
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -20.645
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: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -207.523064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.523064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.523064 (E_RNA)
where:
Base-Base interactions energy: -102.946
where: short stacking energy: -58.013
Base-Backbone interact. energy: 1.474
local terms energy: -106.050704
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -562.005595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.005595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.005595 (E_RNA)
where:
Base-Base interactions energy: -384.474
where: short stacking energy: -186.303
Base-Backbone interact. energy: -0.221
local terms energy: -177.310884
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -36.568
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -53.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -534.481245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.481245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.481245 (E_RNA)
where:
Base-Base interactions energy: -357.243
where: short stacking energy: -168.819
Base-Backbone interact. energy: -0.699
local terms energy: -176.538878
where:
bonds (distance) C4'-P energy: -35.869
bonds (distance) P-C4' energy: -32.612
flat angles C4'-P-C4' energy: -35.285
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -46.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -539.329278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.329278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.329278 (E_RNA)
where:
Base-Base interactions energy: -363.576
where: short stacking energy: -183.436
Base-Backbone interact. energy: -0.561
local terms energy: -175.192071
where:
bonds (distance) C4'-P energy: -34.386
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -37.150
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -47.038
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: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -460.356955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.356955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.356955 (E_RNA)
where:
Base-Base interactions energy: -293.711
where: short stacking energy: -155.782
Base-Backbone interact. energy: 0.834
local terms energy: -167.479443
where:
bonds (distance) C4'-P energy: -31.420
bonds (distance) P-C4' energy: -34.405
flat angles C4'-P-C4' energy: -35.923
flat angles P-C4'-P energy: -25.463
tors. eta vs tors. theta energy: -40.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -459.936081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.936081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.936081 (E_RNA)
where:
Base-Base interactions energy: -316.601
where: short stacking energy: -147.147
Base-Backbone interact. energy: -0.188
local terms energy: -143.147034
where:
bonds (distance) C4'-P energy: -32.701
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -39.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -404.702475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.702475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.702475 (E_RNA)
where:
Base-Base interactions energy: -258.467
where: short stacking energy: -137.227
Base-Backbone interact. energy: -0.269
local terms energy: -145.966690
where:
bonds (distance) C4'-P energy: -25.316
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -27.273
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -35.901
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: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -356.449120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.449120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.449120 (E_RNA)
where:
Base-Base interactions energy: -219.481
where: short stacking energy: -125.185
Base-Backbone interact. energy: 0.651
local terms energy: -137.619183
where:
bonds (distance) C4'-P energy: -36.231
bonds (distance) P-C4' energy: -25.470
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -33.177
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: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -334.236242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.236242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.236242 (E_RNA)
where:
Base-Base interactions energy: -207.995
where: short stacking energy: -104.135
Base-Backbone interact. energy: -0.251
local terms energy: -125.990590
where:
bonds (distance) C4'-P energy: -34.588
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -271.182199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.182199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.182199 (E_RNA)
where:
Base-Base interactions energy: -172.177
where: short stacking energy: -79.425
Base-Backbone interact. energy: -0.220
local terms energy: -98.785012
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -30.158
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -6.846
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: 413
Temperature: 1.350000
Total energy: -242.771303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.771303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.771303 (E_RNA)
where:
Base-Base interactions energy: -138.366
where: short stacking energy: -66.352
Base-Backbone interact. energy: -0.566
local terms energy: -103.839236
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -32.265
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: 1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -555.258074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.258074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.258074 (E_RNA)
where:
Base-Base interactions energy: -368.849
where: short stacking energy: -170.469
Base-Backbone interact. energy: -0.513
local terms energy: -185.895798
where:
bonds (distance) C4'-P energy: -34.509
bonds (distance) P-C4' energy: -42.417
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -25.797
tors. eta vs tors. theta energy: -47.100
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: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -566.920957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.920957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.920957 (E_RNA)
where:
Base-Base interactions energy: -381.609
where: short stacking energy: -192.335
Base-Backbone interact. energy: 0.580
local terms energy: -185.892522
where:
bonds (distance) C4'-P energy: -35.106
bonds (distance) P-C4' energy: -34.579
flat angles C4'-P-C4' energy: -39.750
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -53.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -525.887479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.887479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.887479 (E_RNA)
where:
Base-Base interactions energy: -344.693
where: short stacking energy: -160.229
Base-Backbone interact. energy: -0.111
local terms energy: -181.083952
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -36.299
flat angles C4'-P-C4' energy: -38.253
flat angles P-C4'-P energy: -25.403
tors. eta vs tors. theta energy: -46.592
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: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -454.915228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.915228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.915228 (E_RNA)
where:
Base-Base interactions energy: -296.041
where: short stacking energy: -147.921
Base-Backbone interact. energy: 0.111
local terms energy: -158.985054
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -33.250
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -39.133
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: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -447.125820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.125820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.125820 (E_RNA)
where:
Base-Base interactions energy: -298.563
where: short stacking energy: -125.208
Base-Backbone interact. energy: -0.749
local terms energy: -147.813171
where:
bonds (distance) C4'-P energy: -29.618
bonds (distance) P-C4' energy: -32.353
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -383.203732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.203732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.203732 (E_RNA)
where:
Base-Base interactions energy: -248.290
where: short stacking energy: -137.404
Base-Backbone interact. energy: -0.575
local terms energy: -134.338879
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -32.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -352.420687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.420687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.420687 (E_RNA)
where:
Base-Base interactions energy: -219.456
where: short stacking energy: -114.597
Base-Backbone interact. energy: -0.270
local terms energy: -132.694539
where:
bonds (distance) C4'-P energy: -29.064
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -25.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -312.192643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.192643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.192643 (E_RNA)
where:
Base-Base interactions energy: -176.911
where: short stacking energy: -82.441
Base-Backbone interact. energy: 0.169
local terms energy: -135.450589
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -24.406
tors. eta vs tors. theta energy: -18.861
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: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -284.352596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.352596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.352596 (E_RNA)
where:
Base-Base interactions energy: -171.468
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.960
local terms energy: -111.924667
where:
bonds (distance) C4'-P energy: -29.810
bonds (distance) P-C4' energy: -26.880
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -17.264
tors. eta vs tors. theta energy: -8.341
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: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -277.315738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.315738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.315738 (E_RNA)
where:
Base-Base interactions energy: -174.759
where: short stacking energy: -83.295
Base-Backbone interact. energy: 0.155
local terms energy: -102.712226
where:
bonds (distance) C4'-P energy: -29.302
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -3.456
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: 415
Temperature: 0.900000
Total energy: -572.597372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.597372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.597372 (E_RNA)
where:
Base-Base interactions energy: -380.192
where: short stacking energy: -181.304
Base-Backbone interact. energy: -0.162
local terms energy: -192.243636
where:
bonds (distance) C4'-P energy: -33.031
bonds (distance) P-C4' energy: -35.676
flat angles C4'-P-C4' energy: -40.281
flat angles P-C4'-P energy: -32.687
tors. eta vs tors. theta energy: -50.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -568.262911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.262911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.262911 (E_RNA)
where:
Base-Base interactions energy: -371.417
where: short stacking energy: -188.437
Base-Backbone interact. energy: -0.030
local terms energy: -196.815145
where:
bonds (distance) C4'-P energy: -32.780
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -39.700
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -59.438
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: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -526.568267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.568267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.568267 (E_RNA)
where:
Base-Base interactions energy: -343.370
where: short stacking energy: -161.110
Base-Backbone interact. energy: 0.092
local terms energy: -183.290266
where:
bonds (distance) C4'-P energy: -35.633
bonds (distance) P-C4' energy: -40.591
flat angles C4'-P-C4' energy: -36.307
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -47.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -430.075365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.075365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.075365 (E_RNA)
where:
Base-Base interactions energy: -273.599
where: short stacking energy: -126.145
Base-Backbone interact. energy: -0.889
local terms energy: -155.587140
where:
bonds (distance) C4'-P energy: -32.674
bonds (distance) P-C4' energy: -34.330
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -24.263
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: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -479.239298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.239298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.239298 (E_RNA)
where:
Base-Base interactions energy: -329.135
where: short stacking energy: -160.420
Base-Backbone interact. energy: -0.225
local terms energy: -149.879251
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -36.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -403.297290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.297290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.297290 (E_RNA)
where:
Base-Base interactions energy: -249.633
where: short stacking energy: -117.693
Base-Backbone interact. energy: -0.472
local terms energy: -153.192543
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -36.321
flat angles C4'-P-C4' energy: -37.802
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -353.287959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.287959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.287959 (E_RNA)
where:
Base-Base interactions energy: -232.072
where: short stacking energy: -105.454
Base-Backbone interact. energy: -0.619
local terms energy: -120.596594
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -35.105
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -329.900225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.900225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.900225 (E_RNA)
where:
Base-Base interactions energy: -213.440
where: short stacking energy: -102.283
Base-Backbone interact. energy: -1.103
local terms energy: -115.357514
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -30.042
flat angles P-C4'-P energy: -16.389
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -279.524916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.524916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.524916 (E_RNA)
where:
Base-Base interactions energy: -166.483
where: short stacking energy: -75.075
Base-Backbone interact. energy: -0.626
local terms energy: -112.416517
where:
bonds (distance) C4'-P energy: -36.860
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -3.999
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: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -285.912691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.912691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.912691 (E_RNA)
where:
Base-Base interactions energy: -173.954
where: short stacking energy: -83.089
Base-Backbone interact. energy: -0.866
local terms energy: -111.092470
where:
bonds (distance) C4'-P energy: -32.140
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: -11.469
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: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -553.393901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.393901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.393901 (E_RNA)
where:
Base-Base interactions energy: -367.049
where: short stacking energy: -185.368
Base-Backbone interact. energy: -0.162
local terms energy: -186.182307
where:
bonds (distance) C4'-P energy: -35.829
bonds (distance) P-C4' energy: -37.027
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -47.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -557.513532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.513532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.513532 (E_RNA)
where:
Base-Base interactions energy: -369.846
where: short stacking energy: -167.253
Base-Backbone interact. energy: 0.673
local terms energy: -188.339968
where:
bonds (distance) C4'-P energy: -37.203
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -41.248
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -49.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -514.958860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.958860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.958860 (E_RNA)
where:
Base-Base interactions energy: -341.871
where: short stacking energy: -161.734
Base-Backbone interact. energy: 0.504
local terms energy: -173.591515
where:
bonds (distance) C4'-P energy: -29.904
bonds (distance) P-C4' energy: -35.123
flat angles C4'-P-C4' energy: -37.509
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -43.569
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: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -439.879161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.879161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.879161 (E_RNA)
where:
Base-Base interactions energy: -284.619
where: short stacking energy: -127.560
Base-Backbone interact. energy: -0.956
local terms energy: -154.304171
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -38.285
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -29.494
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: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -483.650264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.650264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.650264 (E_RNA)
where:
Base-Base interactions energy: -333.916
where: short stacking energy: -155.693
Base-Backbone interact. energy: -0.834
local terms energy: -148.899984
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -31.308
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -40.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -401.238673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.238673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.238673 (E_RNA)
where:
Base-Base interactions energy: -244.118
where: short stacking energy: -124.746
Base-Backbone interact. energy: -0.193
local terms energy: -156.926990
where:
bonds (distance) C4'-P energy: -37.241
bonds (distance) P-C4' energy: -34.073
flat angles C4'-P-C4' energy: -30.251
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -33.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -339.121438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.121438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.121438 (E_RNA)
where:
Base-Base interactions energy: -215.481
where: short stacking energy: -93.287
Base-Backbone interact. energy: -0.273
local terms energy: -123.368142
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -34.532
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -14.099
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: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -338.583875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.583875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.583875 (E_RNA)
where:
Base-Base interactions energy: -223.488
where: short stacking energy: -111.344
Base-Backbone interact. energy: -0.505
local terms energy: -114.590577
where:
bonds (distance) C4'-P energy: -28.942
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -29.196
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -279.731983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.731983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.731983 (E_RNA)
where:
Base-Base interactions energy: -175.698
where: short stacking energy: -89.209
Base-Backbone interact. energy: -0.792
local terms energy: -103.241701
where:
bonds (distance) C4'-P energy: -27.733
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -6.223
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: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -225.420565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.420565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.420565 (E_RNA)
where:
Base-Base interactions energy: -122.045
where: short stacking energy: -62.124
Base-Backbone interact. energy: 3.063
local terms energy: -106.439096
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -7.064
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: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -582.679361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.679361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.679361 (E_RNA)
where:
Base-Base interactions energy: -385.441
where: short stacking energy: -195.038
Base-Backbone interact. energy: -0.018
local terms energy: -197.220023
where:
bonds (distance) C4'-P energy: -32.190
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -58.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -560.826004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.826004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.826004 (E_RNA)
where:
Base-Base interactions energy: -362.500
where: short stacking energy: -180.151
Base-Backbone interact. energy: -0.232
local terms energy: -198.093651
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -35.769
flat angles C4'-P-C4' energy: -38.066
flat angles P-C4'-P energy: -32.219
tors. eta vs tors. theta energy: -53.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -550.307056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.307056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.307056 (E_RNA)
where:
Base-Base interactions energy: -367.554
where: short stacking energy: -172.086
Base-Backbone interact. energy: -0.467
local terms energy: -182.285542
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -34.519
flat angles C4'-P-C4' energy: -36.558
flat angles P-C4'-P energy: -27.310
tors. eta vs tors. theta energy: -50.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -472.670049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.670049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.670049 (E_RNA)
where:
Base-Base interactions energy: -321.824
where: short stacking energy: -128.790
Base-Backbone interact. energy: 1.556
local terms energy: -152.401931
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -29.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -454.227115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.227115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.227115 (E_RNA)
where:
Base-Base interactions energy: -288.475
where: short stacking energy: -142.464
Base-Backbone interact. energy: -0.360
local terms energy: -165.392246
where:
bonds (distance) C4'-P energy: -29.689
bonds (distance) P-C4' energy: -30.493
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -40.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -438.443544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.443544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.443544 (E_RNA)
where:
Base-Base interactions energy: -284.985
where: short stacking energy: -127.029
Base-Backbone interact. energy: 0.097
local terms energy: -153.555240
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -21.852
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: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -352.172350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.172350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.172350 (E_RNA)
where:
Base-Base interactions energy: -217.347
where: short stacking energy: -101.241
Base-Backbone interact. energy: 0.228
local terms energy: -135.054287
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -34.182
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -22.318
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: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -357.144573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.144573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.144573 (E_RNA)
where:
Base-Base interactions energy: -232.858
where: short stacking energy: -105.019
Base-Backbone interact. energy: -0.868
local terms energy: -123.418589
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -31.966
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -25.345
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -308.914804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.914804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.914804 (E_RNA)
where:
Base-Base interactions energy: -191.805
where: short stacking energy: -102.746
Base-Backbone interact. energy: 1.559
local terms energy: -118.668468
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -28.685
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: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -232.152391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.152391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.152391 (E_RNA)
where:
Base-Base interactions energy: -131.799
where: short stacking energy: -72.953
Base-Backbone interact. energy: -1.391
local terms energy: -98.962627
where:
bonds (distance) C4'-P energy: -26.093
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -25.117
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -582.350028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.350028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.350028 (E_RNA)
where:
Base-Base interactions energy: -392.085
where: short stacking energy: -197.040
Base-Backbone interact. energy: -0.005
local terms energy: -190.259805
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -36.096
flat angles C4'-P-C4' energy: -40.758
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -58.167
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: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -543.628188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.628188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.628188 (E_RNA)
where:
Base-Base interactions energy: -350.793
where: short stacking energy: -171.951
Base-Backbone interact. energy: -0.229
local terms energy: -192.606446
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -33.858
flat angles C4'-P-C4' energy: -43.290
flat angles P-C4'-P energy: -30.201
tors. eta vs tors. theta energy: -49.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -516.681592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.681592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.681592 (E_RNA)
where:
Base-Base interactions energy: -342.380
where: short stacking energy: -155.147
Base-Backbone interact. energy: -1.708
local terms energy: -172.592960
where:
bonds (distance) C4'-P energy: -36.171
bonds (distance) P-C4' energy: -34.347
flat angles C4'-P-C4' energy: -35.764
flat angles P-C4'-P energy: -20.054
tors. eta vs tors. theta energy: -46.257
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: 418
Temperature: 1.050000
Total energy: -476.506538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.506538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.506538 (E_RNA)
where:
Base-Base interactions energy: -326.474
where: short stacking energy: -168.824
Base-Backbone interact. energy: 1.745
local terms energy: -151.777486
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -39.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -464.179002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.179002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.179002 (E_RNA)
where:
Base-Base interactions energy: -306.316
where: short stacking energy: -146.178
Base-Backbone interact. energy: 0.260
local terms energy: -158.123291
where:
bonds (distance) C4'-P energy: -33.657
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -35.440
flat angles P-C4'-P energy: -20.810
tors. eta vs tors. theta energy: -33.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -411.111848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.111848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.111848 (E_RNA)
where:
Base-Base interactions energy: -266.555
where: short stacking energy: -136.448
Base-Backbone interact. energy: -0.393
local terms energy: -144.164110
where:
bonds (distance) C4'-P energy: -34.243
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -38.059
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -30.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -359.442771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.442771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.442771 (E_RNA)
where:
Base-Base interactions energy: -218.000
where: short stacking energy: -105.450
Base-Backbone interact. energy: -0.819
local terms energy: -140.623348
where:
bonds (distance) C4'-P energy: -34.755
bonds (distance) P-C4' energy: -35.512
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -315.949419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.949419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.949419 (E_RNA)
where:
Base-Base interactions energy: -186.655
where: short stacking energy: -99.749
Base-Backbone interact. energy: -0.321
local terms energy: -128.973590
where:
bonds (distance) C4'-P energy: -36.549
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -30.901
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -12.494
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: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -298.988731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.988731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.988731 (E_RNA)
where:
Base-Base interactions energy: -184.022
where: short stacking energy: -76.688
Base-Backbone interact. energy: 0.017
local terms energy: -114.983552
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -32.954
flat angles C4'-P-C4' energy: -32.970
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -211.157607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.157607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.157607 (E_RNA)
where:
Base-Base interactions energy: -103.848
where: short stacking energy: -57.140
Base-Backbone interact. energy: -0.435
local terms energy: -106.874217
where:
bonds (distance) C4'-P energy: -26.913
bonds (distance) P-C4' energy: -35.902
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: 1.424
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: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -560.923674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.923674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.923674 (E_RNA)
where:
Base-Base interactions energy: -371.704
where: short stacking energy: -188.895
Base-Backbone interact. energy: 0.066
local terms energy: -189.286051
where:
bonds (distance) C4'-P energy: -31.076
bonds (distance) P-C4' energy: -40.357
flat angles C4'-P-C4' energy: -40.968
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -51.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -541.865894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.865894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.865894 (E_RNA)
where:
Base-Base interactions energy: -359.252
where: short stacking energy: -178.713
Base-Backbone interact. energy: -0.111
local terms energy: -182.502484
where:
bonds (distance) C4'-P energy: -32.558
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -39.656
flat angles P-C4'-P energy: -27.849
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: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -511.549111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.549111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.549111 (E_RNA)
where:
Base-Base interactions energy: -330.219
where: short stacking energy: -161.539
Base-Backbone interact. energy: -0.853
local terms energy: -180.477709
where:
bonds (distance) C4'-P energy: -30.888
bonds (distance) P-C4' energy: -37.814
flat angles C4'-P-C4' energy: -35.728
flat angles P-C4'-P energy: -29.951
tors. eta vs tors. theta energy: -46.097
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: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -443.588266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.588266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.588266 (E_RNA)
where:
Base-Base interactions energy: -287.319
where: short stacking energy: -144.599
Base-Backbone interact. energy: -0.643
local terms energy: -155.626016
where:
bonds (distance) C4'-P energy: -31.007
bonds (distance) P-C4' energy: -34.238
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -32.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -437.427506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.427506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.427506 (E_RNA)
where:
Base-Base interactions energy: -285.861
where: short stacking energy: -135.321
Base-Backbone interact. energy: -1.086
local terms energy: -150.480502
where:
bonds (distance) C4'-P energy: -29.145
bonds (distance) P-C4' energy: -35.949
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -22.550
tors. eta vs tors. theta energy: -35.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -372.676819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.676819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.676819 (E_RNA)
where:
Base-Base interactions energy: -221.760
where: short stacking energy: -112.050
Base-Backbone interact. energy: -1.902
local terms energy: -149.014502
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -36.154
flat angles C4'-P-C4' energy: -36.159
flat angles P-C4'-P energy: -20.094
tors. eta vs tors. theta energy: -24.918
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: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -379.390535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.390535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.390535 (E_RNA)
where:
Base-Base interactions energy: -239.325
where: short stacking energy: -116.061
Base-Backbone interact. energy: -0.615
local terms energy: -139.450157
where:
bonds (distance) C4'-P energy: -31.405
bonds (distance) P-C4' energy: -36.406
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -352.688431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.688431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.688431 (E_RNA)
where:
Base-Base interactions energy: -229.140
where: short stacking energy: -105.979
Base-Backbone interact. energy: -0.629
local terms energy: -122.919331
where:
bonds (distance) C4'-P energy: -27.133
bonds (distance) P-C4' energy: -25.499
flat angles C4'-P-C4' energy: -30.715
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -21.570
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: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -279.968727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.968727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.968727 (E_RNA)
where:
Base-Base interactions energy: -170.966
where: short stacking energy: -72.223
Base-Backbone interact. energy: -0.702
local terms energy: -108.301099
where:
bonds (distance) C4'-P energy: -28.018
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -30.111
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -2.185
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: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -210.019596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.019596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.019596 (E_RNA)
where:
Base-Base interactions energy: -108.606
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.561
local terms energy: -100.852564
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -30.172
flat angles C4'-P-C4' energy: -25.512
flat angles P-C4'-P energy: -14.606
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: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -565.389715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.389715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.389715 (E_RNA)
where:
Base-Base interactions energy: -373.124
where: short stacking energy: -183.965
Base-Backbone interact. energy: -0.310
local terms energy: -191.955814
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -37.351
flat angles C4'-P-C4' energy: -38.514
flat angles P-C4'-P energy: -27.179
tors. eta vs tors. theta energy: -51.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -534.255329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.255329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.255329 (E_RNA)
where:
Base-Base interactions energy: -356.034
where: short stacking energy: -172.628
Base-Backbone interact. energy: -0.253
local terms energy: -177.968260
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -39.550
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -30.562
tors. eta vs tors. theta energy: -45.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -501.901870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.901870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.901870 (E_RNA)
where:
Base-Base interactions energy: -344.079
where: short stacking energy: -158.377
Base-Backbone interact. energy: -0.155
local terms energy: -157.668508
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -39.755
flat angles C4'-P-C4' energy: -31.284
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -37.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -486.101769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.101769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.101769 (E_RNA)
where:
Base-Base interactions energy: -320.684
where: short stacking energy: -160.651
Base-Backbone interact. energy: -0.611
local terms energy: -164.806760
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -38.081
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -47.754
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: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -422.525795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.525795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.525795 (E_RNA)
where:
Base-Base interactions energy: -282.888
where: short stacking energy: -133.739
Base-Backbone interact. energy: -0.250
local terms energy: -139.388154
where:
bonds (distance) C4'-P energy: -28.812
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -30.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -367.272193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.272193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.272193 (E_RNA)
where:
Base-Base interactions energy: -227.611
where: short stacking energy: -128.799
Base-Backbone interact. energy: -0.697
local terms energy: -138.964419
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -35.236
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -24.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -382.071174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.071174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.071174 (E_RNA)
where:
Base-Base interactions energy: -244.673
where: short stacking energy: -114.646
Base-Backbone interact. energy: 0.932
local terms energy: -138.330291
where:
bonds (distance) C4'-P energy: -29.008
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -29.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -368.076982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.076982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.076982 (E_RNA)
where:
Base-Base interactions energy: -223.138
where: short stacking energy: -100.344
Base-Backbone interact. energy: 0.305
local terms energy: -145.244343
where:
bonds (distance) C4'-P energy: -31.277
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: -24.697
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: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -297.752123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.752123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.752123 (E_RNA)
where:
Base-Base interactions energy: -196.621
where: short stacking energy: -89.110
Base-Backbone interact. energy: 0.310
local terms energy: -101.441205
where:
bonds (distance) C4'-P energy: -24.832
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -226.303044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.303044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.303044 (E_RNA)
where:
Base-Base interactions energy: -117.590
where: short stacking energy: -70.205
Base-Backbone interact. energy: -0.877
local terms energy: -107.835871
where:
bonds (distance) C4'-P energy: -26.582
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -6.919
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: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -565.710996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.710996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.710996 (E_RNA)
where:
Base-Base interactions energy: -377.939
where: short stacking energy: -189.951
Base-Backbone interact. energy: -0.124
local terms energy: -187.647708
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -37.812
flat angles C4'-P-C4' energy: -41.602
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -51.005
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: 421
Temperature: 0.950000
Total energy: -523.501080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.501080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.501080 (E_RNA)
where:
Base-Base interactions energy: -350.317
where: short stacking energy: -162.258
Base-Backbone interact. energy: -0.901
local terms energy: -172.282466
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -36.475
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -27.829
tors. eta vs tors. theta energy: -40.889
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: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -525.245720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.245720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.245720 (E_RNA)
where:
Base-Base interactions energy: -349.340
where: short stacking energy: -160.173
Base-Backbone interact. energy: 0.356
local terms energy: -176.261334
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -38.334
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -40.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -494.787612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.787612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.787612 (E_RNA)
where:
Base-Base interactions energy: -329.374
where: short stacking energy: -162.767
Base-Backbone interact. energy: -0.255
local terms energy: -165.158297
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -34.239
flat angles P-C4'-P energy: -28.739
tors. eta vs tors. theta energy: -41.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -427.096635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.096635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.096635 (E_RNA)
where:
Base-Base interactions energy: -272.287
where: short stacking energy: -139.566
Base-Backbone interact. energy: -0.971
local terms energy: -153.838914
where:
bonds (distance) C4'-P energy: -30.592
bonds (distance) P-C4' energy: -30.758
flat angles C4'-P-C4' energy: -35.876
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -35.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -385.385166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.385166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.385166 (E_RNA)
where:
Base-Base interactions energy: -242.364
where: short stacking energy: -119.656
Base-Backbone interact. energy: -0.436
local terms energy: -142.584967
where:
bonds (distance) C4'-P energy: -31.992
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -32.793
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -321.883228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.883228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.883228 (E_RNA)
where:
Base-Base interactions energy: -193.867
where: short stacking energy: -100.299
Base-Backbone interact. energy: -0.338
local terms energy: -127.679030
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -33.067
flat angles C4'-P-C4' energy: -33.892
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -397.573839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.573839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.573839 (E_RNA)
where:
Base-Base interactions energy: -261.535
where: short stacking energy: -123.673
Base-Backbone interact. energy: -0.568
local terms energy: -135.470947
where:
bonds (distance) C4'-P energy: -33.138
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -27.076
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -31.510
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: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -310.388489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.388489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.388489 (E_RNA)
where:
Base-Base interactions energy: -189.801
where: short stacking energy: -92.745
Base-Backbone interact. energy: -1.032
local terms energy: -119.555669
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -251.192268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.192268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.192268 (E_RNA)
where:
Base-Base interactions energy: -151.611
where: short stacking energy: -77.308
Base-Backbone interact. energy: -0.632
local terms energy: -98.949358
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -27.108
flat angles C4'-P-C4' energy: -32.895
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -577.494503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.494503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.494503 (E_RNA)
where:
Base-Base interactions energy: -381.585
where: short stacking energy: -188.361
Base-Backbone interact. energy: -0.240
local terms energy: -195.669530
where:
bonds (distance) C4'-P energy: -39.628
bonds (distance) P-C4' energy: -39.963
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -55.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -520.207920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.207920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.207920 (E_RNA)
where:
Base-Base interactions energy: -352.964
where: short stacking energy: -163.985
Base-Backbone interact. energy: -2.305
local terms energy: -164.939736
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -36.874
flat angles C4'-P-C4' energy: -38.928
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -42.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -503.464356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.464356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.464356 (E_RNA)
where:
Base-Base interactions energy: -331.001
where: short stacking energy: -159.690
Base-Backbone interact. energy: -0.013
local terms energy: -172.450789
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -26.255
tors. eta vs tors. theta energy: -41.243
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: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -515.180216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.180216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.180216 (E_RNA)
where:
Base-Base interactions energy: -344.597
where: short stacking energy: -171.692
Base-Backbone interact. energy: -0.255
local terms energy: -170.327409
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -31.836
flat angles C4'-P-C4' energy: -37.701
flat angles P-C4'-P energy: -22.935
tors. eta vs tors. theta energy: -47.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -401.211818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.211818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.211818 (E_RNA)
where:
Base-Base interactions energy: -251.494
where: short stacking energy: -113.872
Base-Backbone interact. energy: -0.161
local terms energy: -149.556236
where:
bonds (distance) C4'-P energy: -27.750
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -33.832
flat angles P-C4'-P energy: -25.220
tors. eta vs tors. theta energy: -29.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -440.557296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.557296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.557296 (E_RNA)
where:
Base-Base interactions energy: -279.447
where: short stacking energy: -142.597
Base-Backbone interact. energy: -0.206
local terms energy: -160.904433
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -27.153
flat angles C4'-P-C4' energy: -30.050
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -44.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -417.945688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.945688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.945688 (E_RNA)
where:
Base-Base interactions energy: -264.569
where: short stacking energy: -134.575
Base-Backbone interact. energy: -0.249
local terms energy: -153.127540
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -29.474
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -33.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -312.142030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.142030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.142030 (E_RNA)
where:
Base-Base interactions energy: -175.206
where: short stacking energy: -95.101
Base-Backbone interact. energy: -0.146
local terms energy: -136.790344
where:
bonds (distance) C4'-P energy: -33.032
bonds (distance) P-C4' energy: -31.924
flat angles C4'-P-C4' energy: -37.517
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -320.224737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.224737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.224737 (E_RNA)
where:
Base-Base interactions energy: -185.952
where: short stacking energy: -96.405
Base-Backbone interact. energy: -0.441
local terms energy: -133.832185
where:
bonds (distance) C4'-P energy: -28.589
bonds (distance) P-C4' energy: -32.330
flat angles C4'-P-C4' energy: -33.210
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -220.474131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.474131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.474131 (E_RNA)
where:
Base-Base interactions energy: -111.504
where: short stacking energy: -56.198
Base-Backbone interact. energy: 0.146
local terms energy: -109.115844
where:
bonds (distance) C4'-P energy: -33.649
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: -1.518
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: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -575.940631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.940631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.940631 (E_RNA)
where:
Base-Base interactions energy: -390.529
where: short stacking energy: -191.207
Base-Backbone interact. energy: -0.020
local terms energy: -185.392195
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -39.269
flat angles C4'-P-C4' energy: -37.746
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -47.793
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: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -497.188186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.188186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.188186 (E_RNA)
where:
Base-Base interactions energy: -328.556
where: short stacking energy: -169.585
Base-Backbone interact. energy: -0.121
local terms energy: -168.511582
where:
bonds (distance) C4'-P energy: -33.308
bonds (distance) P-C4' energy: -30.629
flat angles C4'-P-C4' energy: -34.496
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -45.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -499.981372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.981372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.981372 (E_RNA)
where:
Base-Base interactions energy: -336.841
where: short stacking energy: -145.712
Base-Backbone interact. energy: -1.067
local terms energy: -162.072763
where:
bonds (distance) C4'-P energy: -29.169
bonds (distance) P-C4' energy: -31.060
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -35.679
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: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -502.012865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.012865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.012865 (E_RNA)
where:
Base-Base interactions energy: -327.658
where: short stacking energy: -158.021
Base-Backbone interact. energy: -0.542
local terms energy: -173.812654
where:
bonds (distance) C4'-P energy: -33.334
bonds (distance) P-C4' energy: -40.742
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -28.366
tors. eta vs tors. theta energy: -38.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -432.363929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.363929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.363929 (E_RNA)
where:
Base-Base interactions energy: -272.593
where: short stacking energy: -124.000
Base-Backbone interact. energy: -0.595
local terms energy: -159.175741
where:
bonds (distance) C4'-P energy: -35.591
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -30.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -417.981959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.981959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.981959 (E_RNA)
where:
Base-Base interactions energy: -278.162
where: short stacking energy: -121.775
Base-Backbone interact. energy: -1.006
local terms energy: -138.814817
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -30.698
flat angles C4'-P-C4' energy: -29.128
flat angles P-C4'-P energy: -19.903
tors. eta vs tors. theta energy: -36.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -433.924449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.924449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.924449 (E_RNA)
where:
Base-Base interactions energy: -285.397
where: short stacking energy: -142.116
Base-Backbone interact. energy: -0.174
local terms energy: -148.353590
where:
bonds (distance) C4'-P energy: -28.839
bonds (distance) P-C4' energy: -32.406
flat angles C4'-P-C4' energy: -39.930
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -31.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -324.306474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.306474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.306474 (E_RNA)
where:
Base-Base interactions energy: -198.033
where: short stacking energy: -99.548
Base-Backbone interact. energy: -0.248
local terms energy: -126.026340
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -30.668
flat angles C4'-P-C4' energy: -30.969
flat angles P-C4'-P energy: -20.204
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: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -284.358516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.358516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.358516 (E_RNA)
where:
Base-Base interactions energy: -165.250
where: short stacking energy: -81.553
Base-Backbone interact. energy: -0.173
local terms energy: -118.936060
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -29.597
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -14.079
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: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -218.806283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.806283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.806283 (E_RNA)
where:
Base-Base interactions energy: -110.345
where: short stacking energy: -55.803
Base-Backbone interact. energy: -0.280
local terms energy: -108.181087
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -32.011
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: 0.897
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: 424
Temperature: 0.900000
Total energy: -524.542872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.542872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.542872 (E_RNA)
where:
Base-Base interactions energy: -339.917
where: short stacking energy: -173.622
Base-Backbone interact. energy: -0.940
local terms energy: -183.685670
where:
bonds (distance) C4'-P energy: -32.406
bonds (distance) P-C4' energy: -37.357
flat angles C4'-P-C4' energy: -38.537
flat angles P-C4'-P energy: -25.938
tors. eta vs tors. theta energy: -49.448
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: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -561.873947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.873947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.873947 (E_RNA)
where:
Base-Base interactions energy: -383.394
where: short stacking energy: -192.004
Base-Backbone interact. energy: -0.006
local terms energy: -178.473461
where:
bonds (distance) C4'-P energy: -30.567
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -53.626
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: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -489.732974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.732974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.732974 (E_RNA)
where:
Base-Base interactions energy: -329.258
where: short stacking energy: -150.574
Base-Backbone interact. energy: -1.111
local terms energy: -159.364279
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -33.986
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -41.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -495.409587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.409587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.409587 (E_RNA)
where:
Base-Base interactions energy: -332.319
where: short stacking energy: -155.507
Base-Backbone interact. energy: -1.152
local terms energy: -161.938858
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -32.244
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: -41.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -441.130242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.130242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.130242 (E_RNA)
where:
Base-Base interactions energy: -294.912
where: short stacking energy: -136.334
Base-Backbone interact. energy: -0.267
local terms energy: -145.950793
where:
bonds (distance) C4'-P energy: -28.958
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -33.345
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: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -419.532016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.532016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.532016 (E_RNA)
where:
Base-Base interactions energy: -271.269
where: short stacking energy: -129.684
Base-Backbone interact. energy: -0.327
local terms energy: -147.936285
where:
bonds (distance) C4'-P energy: -31.024
bonds (distance) P-C4' energy: -29.763
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -32.535
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: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -381.532821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.532821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.532821 (E_RNA)
where:
Base-Base interactions energy: -247.012
where: short stacking energy: -120.313
Base-Backbone interact. energy: -0.599
local terms energy: -133.922117
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -23.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -307.720905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.720905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.720905 (E_RNA)
where:
Base-Base interactions energy: -184.390
where: short stacking energy: -96.874
Base-Backbone interact. energy: -0.077
local terms energy: -123.253817
where:
bonds (distance) C4'-P energy: -26.558
bonds (distance) P-C4' energy: -29.391
flat angles C4'-P-C4' energy: -35.974
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -302.060264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.060264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.060264 (E_RNA)
where:
Base-Base interactions energy: -186.787
where: short stacking energy: -89.349
Base-Backbone interact. energy: 0.554
local terms energy: -115.827675
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -30.109
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -216.872367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.872367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.872367 (E_RNA)
where:
Base-Base interactions energy: -96.119
where: short stacking energy: -55.613
Base-Backbone interact. energy: 0.248
local terms energy: -121.001113
where:
bonds (distance) C4'-P energy: -30.584
bonds (distance) P-C4' energy: -33.081
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -537.633994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.633994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.633994 (E_RNA)
where:
Base-Base interactions energy: -353.087
where: short stacking energy: -186.242
Base-Backbone interact. energy: 0.436
local terms energy: -184.983720
where:
bonds (distance) C4'-P energy: -33.181
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -37.253
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -49.150
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: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -561.368043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.368043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.368043 (E_RNA)
where:
Base-Base interactions energy: -374.957
where: short stacking energy: -184.069
Base-Backbone interact. energy: -0.048
local terms energy: -186.363481
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -34.498
flat angles C4'-P-C4' energy: -39.560
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -51.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -502.437634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.437634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.437634 (E_RNA)
where:
Base-Base interactions energy: -326.939
where: short stacking energy: -145.576
Base-Backbone interact. energy: -0.377
local terms energy: -175.121161
where:
bonds (distance) C4'-P energy: -36.192
bonds (distance) P-C4' energy: -39.208
flat angles C4'-P-C4' energy: -35.476
flat angles P-C4'-P energy: -24.263
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: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -486.735645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.735645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.735645 (E_RNA)
where:
Base-Base interactions energy: -334.628
where: short stacking energy: -146.901
Base-Backbone interact. energy: 0.325
local terms energy: -152.433158
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -41.344
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -35.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -432.123213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.123213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.123213 (E_RNA)
where:
Base-Base interactions energy: -291.614
where: short stacking energy: -137.153
Base-Backbone interact. energy: -0.194
local terms energy: -140.314814
where:
bonds (distance) C4'-P energy: -24.052
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -36.037
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -30.501
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: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -403.479082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.479082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.479082 (E_RNA)
where:
Base-Base interactions energy: -256.707
where: short stacking energy: -131.000
Base-Backbone interact. energy: -0.476
local terms energy: -146.296233
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -22.366
tors. eta vs tors. theta energy: -36.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -380.386335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.386335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.386335 (E_RNA)
where:
Base-Base interactions energy: -235.551
where: short stacking energy: -120.847
Base-Backbone interact. energy: 2.952
local terms energy: -147.787493
where:
bonds (distance) C4'-P energy: -37.615
bonds (distance) P-C4' energy: -35.124
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -28.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -309.766349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.766349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.766349 (E_RNA)
where:
Base-Base interactions energy: -187.115
where: short stacking energy: -88.454
Base-Backbone interact. energy: 0.089
local terms energy: -122.740399
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -33.786
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -13.053
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: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -299.433179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.433179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.433179 (E_RNA)
where:
Base-Base interactions energy: -183.061
where: short stacking energy: -99.417
Base-Backbone interact. energy: -0.051
local terms energy: -116.321912
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -38.000
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -20.433
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: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -222.530009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.530009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.530009 (E_RNA)
where:
Base-Base interactions energy: -127.010
where: short stacking energy: -63.867
Base-Backbone interact. energy: 0.790
local terms energy: -96.309911
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -7.224
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: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -556.718911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.718911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.718911 (E_RNA)
where:
Base-Base interactions energy: -369.709
where: short stacking energy: -185.144
Base-Backbone interact. energy: -0.214
local terms energy: -186.796618
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -33.419
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -50.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -534.782368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.782368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.782368 (E_RNA)
where:
Base-Base interactions energy: -341.279
where: short stacking energy: -174.612
Base-Backbone interact. energy: -0.089
local terms energy: -193.413970
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -60.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -530.127003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.127003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.127003 (E_RNA)
where:
Base-Base interactions energy: -354.847
where: short stacking energy: -167.005
Base-Backbone interact. energy: -2.251
local terms energy: -173.028906
where:
bonds (distance) C4'-P energy: -34.484
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -44.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -494.778609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.778609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.778609 (E_RNA)
where:
Base-Base interactions energy: -332.301
where: short stacking energy: -143.813
Base-Backbone interact. energy: -0.458
local terms energy: -162.018770
where:
bonds (distance) C4'-P energy: -33.408
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -37.734
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -42.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -424.888969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.888969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.888969 (E_RNA)
where:
Base-Base interactions energy: -279.283
where: short stacking energy: -141.111
Base-Backbone interact. energy: -0.330
local terms energy: -145.276622
where:
bonds (distance) C4'-P energy: -29.287
bonds (distance) P-C4' energy: -30.564
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -35.392
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: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -422.502008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.502008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.502008 (E_RNA)
where:
Base-Base interactions energy: -285.055
where: short stacking energy: -143.220
Base-Backbone interact. energy: 0.095
local terms energy: -137.541224
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -39.071
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: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -389.594443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.594443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.594443 (E_RNA)
where:
Base-Base interactions energy: -240.890
where: short stacking energy: -111.487
Base-Backbone interact. energy: -0.667
local terms energy: -148.038350
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -35.058
flat angles C4'-P-C4' energy: -35.016
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -28.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -320.159156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.159156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.159156 (E_RNA)
where:
Base-Base interactions energy: -197.492
where: short stacking energy: -100.385
Base-Backbone interact. energy: 0.722
local terms energy: -123.389339
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -27.528
flat angles C4'-P-C4' energy: -34.164
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -328.422500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.422500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.422500 (E_RNA)
where:
Base-Base interactions energy: -203.310
where: short stacking energy: -101.039
Base-Backbone interact. energy: -1.237
local terms energy: -123.874951
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -36.568
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -223.782710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.782710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.782710 (E_RNA)
where:
Base-Base interactions energy: -115.234
where: short stacking energy: -57.964
Base-Backbone interact. energy: 1.258
local terms energy: -109.807250
where:
bonds (distance) C4'-P energy: -24.868
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: 1.960
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: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -556.115260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.115260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.115260 (E_RNA)
where:
Base-Base interactions energy: -365.301
where: short stacking energy: -180.536
Base-Backbone interact. energy: -0.379
local terms energy: -190.435657
where:
bonds (distance) C4'-P energy: -33.123
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -41.601
flat angles P-C4'-P energy: -31.304
tors. eta vs tors. theta energy: -48.353
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: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -527.133356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.133356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.133356 (E_RNA)
where:
Base-Base interactions energy: -345.974
where: short stacking energy: -177.156
Base-Backbone interact. energy: -0.150
local terms energy: -181.008880
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -37.042
flat angles P-C4'-P energy: -31.973
tors. eta vs tors. theta energy: -47.252
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: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -518.236205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.236205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.236205 (E_RNA)
where:
Base-Base interactions energy: -350.094
where: short stacking energy: -167.967
Base-Backbone interact. energy: -0.107
local terms energy: -168.034958
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -24.323
flat angles C4'-P-C4' energy: -42.372
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -48.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -491.593999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.593999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.593999 (E_RNA)
where:
Base-Base interactions energy: -322.397
where: short stacking energy: -146.711
Base-Backbone interact. energy: -1.188
local terms energy: -168.009461
where:
bonds (distance) C4'-P energy: -32.306
bonds (distance) P-C4' energy: -37.802
flat angles C4'-P-C4' energy: -42.174
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -32.811
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: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -449.935328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.935328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.935328 (E_RNA)
where:
Base-Base interactions energy: -297.896
where: short stacking energy: -129.711
Base-Backbone interact. energy: -0.670
local terms energy: -151.369198
where:
bonds (distance) C4'-P energy: -30.299
bonds (distance) P-C4' energy: -33.349
flat angles C4'-P-C4' energy: -28.181
flat angles P-C4'-P energy: -28.062
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -415.178886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.178886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.178886 (E_RNA)
where:
Base-Base interactions energy: -265.231
where: short stacking energy: -140.075
Base-Backbone interact. energy: -0.686
local terms energy: -149.261830
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -35.443
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -34.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -396.798603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.798603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.798603 (E_RNA)
where:
Base-Base interactions energy: -251.922
where: short stacking energy: -129.422
Base-Backbone interact. energy: -0.258
local terms energy: -144.619095
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -38.215
flat angles P-C4'-P energy: -23.587
tors. eta vs tors. theta energy: -38.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -362.487361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.487361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.487361 (E_RNA)
where:
Base-Base interactions energy: -228.455
where: short stacking energy: -100.175
Base-Backbone interact. energy: -0.637
local terms energy: -133.395006
where:
bonds (distance) C4'-P energy: -31.186
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -17.755
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: 427
Temperature: 1.300000
Total energy: -286.308721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.308721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.308721 (E_RNA)
where:
Base-Base interactions energy: -170.176
where: short stacking energy: -82.002
Base-Backbone interact. energy: -0.601
local terms energy: -115.531225
where:
bonds (distance) C4'-P energy: -31.459
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -35.667
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -14.429
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: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -251.888359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.888359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.888359 (E_RNA)
where:
Base-Base interactions energy: -125.572
where: short stacking energy: -62.165
Base-Backbone interact. energy: -0.014
local terms energy: -126.302649
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -38.436
flat angles C4'-P-C4' energy: -27.284
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -12.350
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: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -566.784870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.784870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.784870 (E_RNA)
where:
Base-Base interactions energy: -365.494
where: short stacking energy: -186.236
Base-Backbone interact. energy: -0.644
local terms energy: -200.646937
where:
bonds (distance) C4'-P energy: -41.569
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -41.659
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -52.759
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: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -526.944531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.944531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.944531 (E_RNA)
where:
Base-Base interactions energy: -339.405
where: short stacking energy: -173.641
Base-Backbone interact. energy: -0.109
local terms energy: -187.431254
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -39.793
flat angles C4'-P-C4' energy: -37.850
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -51.771
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: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -516.271184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.271184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.271184 (E_RNA)
where:
Base-Base interactions energy: -338.692
where: short stacking energy: -157.154
Base-Backbone interact. energy: -0.072
local terms energy: -177.507524
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -32.310
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -41.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -497.568900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.568900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.568900 (E_RNA)
where:
Base-Base interactions energy: -337.115
where: short stacking energy: -155.902
Base-Backbone interact. energy: -0.293
local terms energy: -160.160851
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -33.940
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -23.495
tors. eta vs tors. theta energy: -37.865
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: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -444.011596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.011596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.011596 (E_RNA)
where:
Base-Base interactions energy: -291.087
where: short stacking energy: -138.515
Base-Backbone interact. energy: -1.425
local terms energy: -151.499011
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -33.676
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: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -400.639592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.639592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.639592 (E_RNA)
where:
Base-Base interactions energy: -260.043
where: short stacking energy: -121.623
Base-Backbone interact. energy: -0.250
local terms energy: -140.346795
where:
bonds (distance) C4'-P energy: -25.501
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -404.044653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.044653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.044653 (E_RNA)
where:
Base-Base interactions energy: -255.795
where: short stacking energy: -125.997
Base-Backbone interact. energy: -0.618
local terms energy: -147.631609
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -26.909
flat angles C4'-P-C4' energy: -36.091
flat angles P-C4'-P energy: -30.107
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: 8, replica: 5
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -299.430213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.430213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.430213 (E_RNA)
where:
Base-Base interactions energy: -179.256
where: short stacking energy: -95.014
Base-Backbone interact. energy: 1.812
local terms energy: -121.986137
where:
bonds (distance) C4'-P energy: -31.820
bonds (distance) P-C4' energy: -32.966
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -15.010
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: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -255.466292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.466292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.466292 (E_RNA)
where:
Base-Base interactions energy: -141.233
where: short stacking energy: -73.876
Base-Backbone interact. energy: 0.092
local terms energy: -114.325426
where:
bonds (distance) C4'-P energy: -27.679
bonds (distance) P-C4' energy: -29.669
flat angles C4'-P-C4' energy: -34.154
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -277.891887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.891887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.891887 (E_RNA)
where:
Base-Base interactions energy: -173.976
where: short stacking energy: -88.525
Base-Backbone interact. energy: -0.676
local terms energy: -103.239992
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -23.667
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -9.861
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: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -572.518156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.518156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.518156 (E_RNA)
where:
Base-Base interactions energy: -384.917
where: short stacking energy: -184.694
Base-Backbone interact. energy: 0.331
local terms energy: -187.932273
where:
bonds (distance) C4'-P energy: -36.593
bonds (distance) P-C4' energy: -33.775
flat angles C4'-P-C4' energy: -40.242
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -56.141
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: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -516.280700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.280700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.280700 (E_RNA)
where:
Base-Base interactions energy: -341.009
where: short stacking energy: -168.099
Base-Backbone interact. energy: -0.022
local terms energy: -175.249923
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -34.174
flat angles C4'-P-C4' energy: -37.296
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -46.583
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: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -522.239174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.239174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.239174 (E_RNA)
where:
Base-Base interactions energy: -353.654
where: short stacking energy: -178.015
Base-Backbone interact. energy: -0.073
local terms energy: -168.512030
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -36.308
flat angles C4'-P-C4' energy: -38.240
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -46.993
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: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -496.922372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.922372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.922372 (E_RNA)
where:
Base-Base interactions energy: -337.507
where: short stacking energy: -155.434
Base-Backbone interact. energy: -0.920
local terms energy: -158.495133
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -31.224
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -41.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -427.434107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.434107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.434107 (E_RNA)
where:
Base-Base interactions energy: -274.308
where: short stacking energy: -133.935
Base-Backbone interact. energy: -0.035
local terms energy: -153.091001
where:
bonds (distance) C4'-P energy: -30.173
bonds (distance) P-C4' energy: -31.517
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -38.714
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: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -418.664696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.664696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.664696 (E_RNA)
where:
Base-Base interactions energy: -268.525
where: short stacking energy: -124.178
Base-Backbone interact. energy: -0.840
local terms energy: -149.299698
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -34.688
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -26.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -416.076378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.076378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.076378 (E_RNA)
where:
Base-Base interactions energy: -276.727
where: short stacking energy: -142.727
Base-Backbone interact. energy: 0.541
local terms energy: -139.889916
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -28.885
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -31.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -311.628688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.628688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.628688 (E_RNA)
where:
Base-Base interactions energy: -190.956
where: short stacking energy: -90.164
Base-Backbone interact. energy: -0.154
local terms energy: -120.519317
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -19.112
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -300.844031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.844031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.844031 (E_RNA)
where:
Base-Base interactions energy: -189.094
where: short stacking energy: -88.571
Base-Backbone interact. energy: -1.240
local terms energy: -110.509790
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -30.331
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -281.042381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.042381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.042381 (E_RNA)
where:
Base-Base interactions energy: -161.858
where: short stacking energy: -74.414
Base-Backbone interact. energy: -0.167
local terms energy: -119.017623
where:
bonds (distance) C4'-P energy: -28.630
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -573.740035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.740035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.740035 (E_RNA)
where:
Base-Base interactions energy: -389.714
where: short stacking energy: -184.271
Base-Backbone interact. energy: -0.771
local terms energy: -183.254803
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -37.169
flat angles C4'-P-C4' energy: -35.408
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -52.955
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: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -527.396756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.396756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.396756 (E_RNA)
where:
Base-Base interactions energy: -348.965
where: short stacking energy: -165.301
Base-Backbone interact. energy: -0.093
local terms energy: -178.338204
where:
bonds (distance) C4'-P energy: -38.953
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -38.728
flat angles P-C4'-P energy: -25.390
tors. eta vs tors. theta energy: -42.238
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: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -503.035595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.035595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.035595 (E_RNA)
where:
Base-Base interactions energy: -326.860
where: short stacking energy: -146.727
Base-Backbone interact. energy: -0.298
local terms energy: -175.878074
where:
bonds (distance) C4'-P energy: -37.318
bonds (distance) P-C4' energy: -39.674
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -26.365
tors. eta vs tors. theta energy: -38.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -469.426934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.426934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.426934 (E_RNA)
where:
Base-Base interactions energy: -322.969
where: short stacking energy: -141.202
Base-Backbone interact. energy: 0.253
local terms energy: -146.711580
where:
bonds (distance) C4'-P energy: -30.773
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -38.038
flat angles P-C4'-P energy: -19.528
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: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -440.878862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.878862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.878862 (E_RNA)
where:
Base-Base interactions energy: -278.120
where: short stacking energy: -138.327
Base-Backbone interact. energy: -0.893
local terms energy: -161.865756
where:
bonds (distance) C4'-P energy: -29.388
bonds (distance) P-C4' energy: -36.351
flat angles C4'-P-C4' energy: -29.411
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -39.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -412.014402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.014402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.014402 (E_RNA)
where:
Base-Base interactions energy: -278.959
where: short stacking energy: -119.524
Base-Backbone interact. energy: -1.704
local terms energy: -131.352199
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -36.798
flat angles C4'-P-C4' energy: -26.302
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -20.877
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: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -409.303518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.303518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.303518 (E_RNA)
where:
Base-Base interactions energy: -266.374
where: short stacking energy: -126.517
Base-Backbone interact. energy: 0.864
local terms energy: -143.793563
where:
bonds (distance) C4'-P energy: -24.776
bonds (distance) P-C4' energy: -37.128
flat angles C4'-P-C4' energy: -34.126
flat angles P-C4'-P energy: -14.526
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: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -307.631697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.631697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.631697 (E_RNA)
where:
Base-Base interactions energy: -189.558
where: short stacking energy: -90.420
Base-Backbone interact. energy: -0.770
local terms energy: -117.303847
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -10.351
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: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -325.132495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.132495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.132495 (E_RNA)
where:
Base-Base interactions energy: -210.715
where: short stacking energy: -105.570
Base-Backbone interact. energy: 0.981
local terms energy: -115.398276
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -24.433
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: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -221.734212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.734212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.734212 (E_RNA)
where:
Base-Base interactions energy: -132.827
where: short stacking energy: -88.180
Base-Backbone interact. energy: 0.139
local terms energy: -89.046716
where:
bonds (distance) C4'-P energy: -25.894
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -8.843
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: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -563.563927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.563927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.563927 (E_RNA)
where:
Base-Base interactions energy: -386.112
where: short stacking energy: -174.967
Base-Backbone interact. energy: -0.356
local terms energy: -177.096204
where:
bonds (distance) C4'-P energy: -38.275
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -38.043
flat angles P-C4'-P energy: -19.485
tors. eta vs tors. theta energy: -50.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -531.012422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.012422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.012422 (E_RNA)
where:
Base-Base interactions energy: -341.895
where: short stacking energy: -162.234
Base-Backbone interact. energy: -0.549
local terms energy: -188.569043
where:
bonds (distance) C4'-P energy: -34.835
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -32.654
tors. eta vs tors. theta energy: -43.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -514.656433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.656433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.656433 (E_RNA)
where:
Base-Base interactions energy: -342.166
where: short stacking energy: -163.184
Base-Backbone interact. energy: 0.231
local terms energy: -172.721258
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -33.479
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -46.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -498.077357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.077357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.077357 (E_RNA)
where:
Base-Base interactions energy: -333.712
where: short stacking energy: -136.001
Base-Backbone interact. energy: -0.134
local terms energy: -164.231980
where:
bonds (distance) C4'-P energy: -38.957
bonds (distance) P-C4' energy: -31.924
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -37.948
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: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -444.460133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.460133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.460133 (E_RNA)
where:
Base-Base interactions energy: -288.681
where: short stacking energy: -145.508
Base-Backbone interact. energy: -0.105
local terms energy: -155.674175
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -38.693
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -36.752
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: 6, replica: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -410.003862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.003862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.003862 (E_RNA)
where:
Base-Base interactions energy: -262.767
where: short stacking energy: -107.215
Base-Backbone interact. energy: -0.572
local terms energy: -146.664678
where:
bonds (distance) C4'-P energy: -34.508
bonds (distance) P-C4' energy: -34.710
flat angles C4'-P-C4' energy: -36.546
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -389.081185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.081185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.081185 (E_RNA)
where:
Base-Base interactions energy: -239.580
where: short stacking energy: -106.821
Base-Backbone interact. energy: -0.822
local terms energy: -148.679398
where:
bonds (distance) C4'-P energy: -30.282
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -28.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -307.031452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.031452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.031452 (E_RNA)
where:
Base-Base interactions energy: -179.391
where: short stacking energy: -92.182
Base-Backbone interact. energy: -0.472
local terms energy: -127.168466
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -287.794251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.794251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.794251 (E_RNA)
where:
Base-Base interactions energy: -158.955
where: short stacking energy: -81.950
Base-Backbone interact. energy: -0.858
local terms energy: -127.980781
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -38.934
flat angles C4'-P-C4' energy: -33.038
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -242.631256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.631256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.631256 (E_RNA)
where:
Base-Base interactions energy: -130.570
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.490
local terms energy: -111.571371
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -29.404
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: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -548.959387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.959387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.959387 (E_RNA)
where:
Base-Base interactions energy: -372.593
where: short stacking energy: -185.359
Base-Backbone interact. energy: -0.665
local terms energy: -175.701201
where:
bonds (distance) C4'-P energy: -32.065
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -39.106
flat angles P-C4'-P energy: -23.286
tors. eta vs tors. theta energy: -45.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -517.378600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.378600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.378600 (E_RNA)
where:
Base-Base interactions energy: -341.817
where: short stacking energy: -167.807
Base-Backbone interact. energy: 1.053
local terms energy: -176.614495
where:
bonds (distance) C4'-P energy: -31.990
bonds (distance) P-C4' energy: -36.653
flat angles C4'-P-C4' energy: -42.513
flat angles P-C4'-P energy: -25.629
tors. eta vs tors. theta energy: -39.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -502.106084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.106084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.106084 (E_RNA)
where:
Base-Base interactions energy: -330.662
where: short stacking energy: -145.489
Base-Backbone interact. energy: -0.476
local terms energy: -170.967933
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -28.831
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -504.175489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.175489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.175489 (E_RNA)
where:
Base-Base interactions energy: -332.829
where: short stacking energy: -160.543
Base-Backbone interact. energy: -0.193
local terms energy: -171.154273
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -36.054
flat angles C4'-P-C4' energy: -36.910
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -36.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -451.931299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.931299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.931299 (E_RNA)
where:
Base-Base interactions energy: -289.810
where: short stacking energy: -148.871
Base-Backbone interact. energy: -0.267
local terms energy: -161.854924
where:
bonds (distance) C4'-P energy: -31.412
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -36.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -428.210125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.210125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.210125 (E_RNA)
where:
Base-Base interactions energy: -270.130
where: short stacking energy: -146.973
Base-Backbone interact. energy: -0.920
local terms energy: -157.159983
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -31.465
flat angles C4'-P-C4' energy: -36.101
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -44.246
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: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -405.675941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.675941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.675941 (E_RNA)
where:
Base-Base interactions energy: -269.324
where: short stacking energy: -120.826
Base-Backbone interact. energy: -0.402
local terms energy: -135.950440
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -35.080
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -315.717632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.717632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.717632 (E_RNA)
where:
Base-Base interactions energy: -185.644
where: short stacking energy: -85.282
Base-Backbone interact. energy: -0.347
local terms energy: -129.726554
where:
bonds (distance) C4'-P energy: -28.791
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -38.031
flat angles P-C4'-P energy: -16.817
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: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -234.177524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.177524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.177524 (E_RNA)
where:
Base-Base interactions energy: -125.719
where: short stacking energy: -81.365
Base-Backbone interact. energy: 0.628
local terms energy: -109.086275
where:
bonds (distance) C4'-P energy: -34.247
bonds (distance) P-C4' energy: -24.096
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -9.221
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: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -287.647916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.647916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.647916 (E_RNA)
where:
Base-Base interactions energy: -180.238
where: short stacking energy: -86.258
Base-Backbone interact. energy: -0.484
local terms energy: -106.926195
where:
bonds (distance) C4'-P energy: -27.390
bonds (distance) P-C4' energy: -28.286
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -572.735679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.735679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.735679 (E_RNA)
where:
Base-Base interactions energy: -384.243
where: short stacking energy: -185.992
Base-Backbone interact. energy: 0.129
local terms energy: -188.621188
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -38.177
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -55.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -522.358491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.358491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.358491 (E_RNA)
where:
Base-Base interactions energy: -353.604
where: short stacking energy: -159.962
Base-Backbone interact. energy: -0.464
local terms energy: -168.290964
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -36.785
flat angles C4'-P-C4' energy: -34.586
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -39.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -526.833064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.833064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.833064 (E_RNA)
where:
Base-Base interactions energy: -352.021
where: short stacking energy: -159.975
Base-Backbone interact. energy: -0.618
local terms energy: -174.193609
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -31.568
flat angles C4'-P-C4' energy: -39.326
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -41.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -518.957302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.957302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.957302 (E_RNA)
where:
Base-Base interactions energy: -351.732
where: short stacking energy: -175.592
Base-Backbone interact. energy: -0.130
local terms energy: -167.095771
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -35.051
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: -50.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -453.893961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.893961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.893961 (E_RNA)
where:
Base-Base interactions energy: -281.020
where: short stacking energy: -140.027
Base-Backbone interact. energy: -0.618
local terms energy: -172.255965
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -39.254
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: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -397.334265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.334265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.334265 (E_RNA)
where:
Base-Base interactions energy: -261.169
where: short stacking energy: -132.476
Base-Backbone interact. energy: -0.216
local terms energy: -135.948568
where:
bonds (distance) C4'-P energy: -29.161
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -30.568
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -26.381
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: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -409.697546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.697546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.697546 (E_RNA)
where:
Base-Base interactions energy: -272.040
where: short stacking energy: -134.421
Base-Backbone interact. energy: 3.242
local terms energy: -140.899593
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -32.030
flat angles C4'-P-C4' energy: -34.025
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -32.117
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: 433
Temperature: 1.250000
Total energy: -309.434384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.434384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.434384 (E_RNA)
where:
Base-Base interactions energy: -184.772
where: short stacking energy: -90.251
Base-Backbone interact. energy: -1.405
local terms energy: -123.257408
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -29.927
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -21.589
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -247.439631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.439631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.439631 (E_RNA)
where:
Base-Base interactions energy: -115.461
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.720
local terms energy: -131.258873
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -281.731681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.731681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.731681 (E_RNA)
where:
Base-Base interactions energy: -165.668
where: short stacking energy: -86.644
Base-Backbone interact. energy: -0.758
local terms energy: -115.305595
where:
bonds (distance) C4'-P energy: -26.328
bonds (distance) P-C4' energy: -29.039
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -12.212
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: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -575.254012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.254012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.254012 (E_RNA)
where:
Base-Base interactions energy: -374.796
where: short stacking energy: -186.282
Base-Backbone interact. energy: -1.306
local terms energy: -199.152433
where:
bonds (distance) C4'-P energy: -40.422
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -39.240
flat angles P-C4'-P energy: -28.124
tors. eta vs tors. theta energy: -56.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -531.926348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.926348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.926348 (E_RNA)
where:
Base-Base interactions energy: -361.174
where: short stacking energy: -183.008
Base-Backbone interact. energy: -0.154
local terms energy: -170.598081
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -32.912
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -25.761
tors. eta vs tors. theta energy: -48.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -523.814939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.814939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.814939 (E_RNA)
where:
Base-Base interactions energy: -347.990
where: short stacking energy: -166.612
Base-Backbone interact. energy: -0.599
local terms energy: -175.225858
where:
bonds (distance) C4'-P energy: -30.790
bonds (distance) P-C4' energy: -34.646
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -46.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -514.378897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.378897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.378897 (E_RNA)
where:
Base-Base interactions energy: -342.877
where: short stacking energy: -158.656
Base-Backbone interact. energy: -0.221
local terms energy: -171.280346
where:
bonds (distance) C4'-P energy: -29.819
bonds (distance) P-C4' energy: -31.372
flat angles C4'-P-C4' energy: -42.830
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -40.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -450.483969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.483969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.483969 (E_RNA)
where:
Base-Base interactions energy: -288.129
where: short stacking energy: -140.687
Base-Backbone interact. energy: -0.034
local terms energy: -162.321138
where:
bonds (distance) C4'-P energy: -33.803
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -34.179
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -38.612
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: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -387.038620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.038620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.038620 (E_RNA)
where:
Base-Base interactions energy: -253.951
where: short stacking energy: -122.998
Base-Backbone interact. energy: 0.251
local terms energy: -133.338569
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -27.825
flat angles C4'-P-C4' energy: -29.935
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -29.123
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: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -355.994079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.994079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.994079 (E_RNA)
where:
Base-Base interactions energy: -217.989
where: short stacking energy: -126.673
Base-Backbone interact. energy: 0.036
local terms energy: -138.040730
where:
bonds (distance) C4'-P energy: -27.789
bonds (distance) P-C4' energy: -31.832
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -21.111
tors. eta vs tors. theta energy: -29.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -350.727732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.727732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.727732 (E_RNA)
where:
Base-Base interactions energy: -215.104
where: short stacking energy: -97.713
Base-Backbone interact. energy: -0.473
local terms energy: -135.150758
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -33.849
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -326.763101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.763101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.763101 (E_RNA)
where:
Base-Base interactions energy: -196.597
where: short stacking energy: -105.295
Base-Backbone interact. energy: -0.205
local terms energy: -129.961351
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -221.910194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.910194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.910194 (E_RNA)
where:
Base-Base interactions energy: -104.311
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.284
local terms energy: -117.315503
where:
bonds (distance) C4'-P energy: -35.379
bonds (distance) P-C4' energy: -31.195
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -10.162
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: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -570.519615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.519615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.519615 (E_RNA)
where:
Base-Base interactions energy: -382.312
where: short stacking energy: -187.527
Base-Backbone interact. energy: -0.282
local terms energy: -187.925307
where:
bonds (distance) C4'-P energy: -37.056
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -36.738
flat angles P-C4'-P energy: -28.191
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: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -518.030911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.030911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.030911 (E_RNA)
where:
Base-Base interactions energy: -342.663
where: short stacking energy: -170.176
Base-Backbone interact. energy: 0.270
local terms energy: -175.638782
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -39.291
flat angles C4'-P-C4' energy: -31.675
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -49.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -507.668835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.668835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.668835 (E_RNA)
where:
Base-Base interactions energy: -339.649
where: short stacking energy: -162.233
Base-Backbone interact. energy: 0.726
local terms energy: -168.745778
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -25.978
flat angles C4'-P-C4' energy: -42.230
flat angles P-C4'-P energy: -29.085
tors. eta vs tors. theta energy: -39.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -510.004794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.004794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.004794 (E_RNA)
where:
Base-Base interactions energy: -345.677
where: short stacking energy: -157.602
Base-Backbone interact. energy: -0.551
local terms energy: -163.776485
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -36.893
flat angles C4'-P-C4' energy: -25.720
flat angles P-C4'-P energy: -29.743
tors. eta vs tors. theta energy: -38.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -450.514267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.514267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.514267 (E_RNA)
where:
Base-Base interactions energy: -285.035
where: short stacking energy: -142.841
Base-Backbone interact. energy: -0.051
local terms energy: -165.427572
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -37.225
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -43.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -358.549973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.549973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.549973 (E_RNA)
where:
Base-Base interactions energy: -223.693
where: short stacking energy: -116.440
Base-Backbone interact. energy: -0.212
local terms energy: -134.644562
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -34.959
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -399.184101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.184101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.184101 (E_RNA)
where:
Base-Base interactions energy: -260.191
where: short stacking energy: -119.186
Base-Backbone interact. energy: -0.936
local terms energy: -138.057400
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -39.116
flat angles C4'-P-C4' energy: -31.743
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -21.343
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: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -341.727641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.727641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.727641 (E_RNA)
where:
Base-Base interactions energy: -227.769
where: short stacking energy: -98.944
Base-Backbone interact. energy: -1.191
local terms energy: -112.768000
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -27.621
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -306.739859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.739859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.739859 (E_RNA)
where:
Base-Base interactions energy: -194.320
where: short stacking energy: -89.710
Base-Backbone interact. energy: -0.654
local terms energy: -111.766043
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -222.382075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.382075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.382075 (E_RNA)
where:
Base-Base interactions energy: -111.448
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.815
local terms energy: -110.119264
where:
bonds (distance) C4'-P energy: -30.487
bonds (distance) P-C4' energy: -27.414
flat angles C4'-P-C4' energy: -27.069
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -573.749656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.749656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.749656 (E_RNA)
where:
Base-Base interactions energy: -379.026
where: short stacking energy: -192.856
Base-Backbone interact. energy: -0.250
local terms energy: -194.473498
where:
bonds (distance) C4'-P energy: -40.799
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -54.854
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: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -515.801490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.801490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.801490 (E_RNA)
where:
Base-Base interactions energy: -332.291
where: short stacking energy: -168.131
Base-Backbone interact. energy: -0.705
local terms energy: -182.805198
where:
bonds (distance) C4'-P energy: -36.613
bonds (distance) P-C4' energy: -31.093
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -26.678
tors. eta vs tors. theta energy: -49.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -524.785024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.785024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.785024 (E_RNA)
where:
Base-Base interactions energy: -343.712
where: short stacking energy: -169.153
Base-Backbone interact. energy: -0.030
local terms energy: -181.042589
where:
bonds (distance) C4'-P energy: -32.537
bonds (distance) P-C4' energy: -37.506
flat angles C4'-P-C4' energy: -38.286
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: -42.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -491.652668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.652668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.652668 (E_RNA)
where:
Base-Base interactions energy: -329.514
where: short stacking energy: -134.221
Base-Backbone interact. energy: -0.728
local terms energy: -161.410871
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -30.557
flat angles C4'-P-C4' energy: -32.505
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -38.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -440.633340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.633340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.633340 (E_RNA)
where:
Base-Base interactions energy: -291.109
where: short stacking energy: -151.024
Base-Backbone interact. energy: -0.128
local terms energy: -149.396717
where:
bonds (distance) C4'-P energy: -31.691
bonds (distance) P-C4' energy: -26.865
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -39.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -361.473976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.473976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.473976 (E_RNA)
where:
Base-Base interactions energy: -232.254
where: short stacking energy: -138.974
Base-Backbone interact. energy: 1.147
local terms energy: -130.366995
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -31.320
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -30.538
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: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -393.969858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.969858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.969858 (E_RNA)
where:
Base-Base interactions energy: -251.487
where: short stacking energy: -119.040
Base-Backbone interact. energy: -0.754
local terms energy: -141.728750
where:
bonds (distance) C4'-P energy: -29.564
bonds (distance) P-C4' energy: -29.085
flat angles C4'-P-C4' energy: -34.469
flat angles P-C4'-P energy: -24.192
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -332.102847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.102847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.102847 (E_RNA)
where:
Base-Base interactions energy: -210.865
where: short stacking energy: -104.470
Base-Backbone interact. energy: -0.168
local terms energy: -121.069430
where:
bonds (distance) C4'-P energy: -31.495
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -324.389489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.389489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.389489 (E_RNA)
where:
Base-Base interactions energy: -207.835
where: short stacking energy: -95.480
Base-Backbone interact. energy: 1.181
local terms energy: -117.735452
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -31.877
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -16.907
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: 436
Temperature: 1.350000
Total energy: -227.916957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.916957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.916957 (E_RNA)
where:
Base-Base interactions energy: -117.663
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.248
local terms energy: -110.005244
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -23.822
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -583.420742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.420742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.420742 (E_RNA)
where:
Base-Base interactions energy: -389.689
where: short stacking energy: -189.486
Base-Backbone interact. energy: 0.451
local terms energy: -194.182680
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -35.140
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -26.516
tors. eta vs tors. theta energy: -56.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -524.640755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.640755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.640755 (E_RNA)
where:
Base-Base interactions energy: -350.897
where: short stacking energy: -164.934
Base-Backbone interact. energy: -0.605
local terms energy: -173.138572
where:
bonds (distance) C4'-P energy: -34.223
bonds (distance) P-C4' energy: -34.654
flat angles C4'-P-C4' energy: -40.437
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -43.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -495.620807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.620807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.620807 (E_RNA)
where:
Base-Base interactions energy: -325.041
where: short stacking energy: -151.277
Base-Backbone interact. energy: 0.143
local terms energy: -170.723284
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -32.322
flat angles C4'-P-C4' energy: -31.952
flat angles P-C4'-P energy: -29.819
tors. eta vs tors. theta energy: -40.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -475.331918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.331918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.331918 (E_RNA)
where:
Base-Base interactions energy: -310.255
where: short stacking energy: -140.879
Base-Backbone interact. energy: -0.510
local terms energy: -164.567460
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -36.368
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -34.313
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: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -430.139571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.139571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.139571 (E_RNA)
where:
Base-Base interactions energy: -278.152
where: short stacking energy: -142.063
Base-Backbone interact. energy: -0.410
local terms energy: -151.578013
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -32.175
flat angles C4'-P-C4' energy: -35.280
flat angles P-C4'-P energy: -25.786
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: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -401.273754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.273754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.273754 (E_RNA)
where:
Base-Base interactions energy: -256.741
where: short stacking energy: -116.241
Base-Backbone interact. energy: -0.571
local terms energy: -143.961552
where:
bonds (distance) C4'-P energy: -27.512
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -25.043
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: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -369.738106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.738106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.738106 (E_RNA)
where:
Base-Base interactions energy: -229.705
where: short stacking energy: -112.363
Base-Backbone interact. energy: -0.363
local terms energy: -139.670170
where:
bonds (distance) C4'-P energy: -31.278
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -31.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -349.617494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.617494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.617494 (E_RNA)
where:
Base-Base interactions energy: -229.748
where: short stacking energy: -111.754
Base-Backbone interact. energy: -0.837
local terms energy: -119.033067
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -28.768
flat angles C4'-P-C4' energy: -33.680
flat angles P-C4'-P energy: -19.533
tors. eta vs tors. theta energy: -25.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -311.330788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.330788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.330788 (E_RNA)
where:
Base-Base interactions energy: -189.846
where: short stacking energy: -74.230
Base-Backbone interact. energy: 0.562
local terms energy: -122.047118
where:
bonds (distance) C4'-P energy: -33.633
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -24.191
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: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -234.763217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.763217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.763217 (E_RNA)
where:
Base-Base interactions energy: -126.653
where: short stacking energy: -75.069
Base-Backbone interact. energy: -0.910
local terms energy: -107.200179
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -9.853
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: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -587.264701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.264701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.264701 (E_RNA)
where:
Base-Base interactions energy: -394.732
where: short stacking energy: -208.097
Base-Backbone interact. energy: -0.064
local terms energy: -192.468348
where:
bonds (distance) C4'-P energy: -36.232
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -55.291
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: 8
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -526.200952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.200952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.200952 (E_RNA)
where:
Base-Base interactions energy: -363.607
where: short stacking energy: -176.032
Base-Backbone interact. energy: -0.061
local terms energy: -162.532248
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -27.431
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -43.294
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: 438
Temperature: 1.000000
Total energy: -497.951381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.951381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.951381 (E_RNA)
where:
Base-Base interactions energy: -340.949
where: short stacking energy: -157.552
Base-Backbone interact. energy: -0.091
local terms energy: -156.911515
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -38.456
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -43.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -504.758345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.758345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.758345 (E_RNA)
where:
Base-Base interactions energy: -329.712
where: short stacking energy: -172.779
Base-Backbone interact. energy: -0.056
local terms energy: -174.990434
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -40.769
flat angles C4'-P-C4' energy: -36.117
flat angles P-C4'-P energy: -22.951
tors. eta vs tors. theta energy: -47.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -405.994484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.994484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.994484 (E_RNA)
where:
Base-Base interactions energy: -267.912
where: short stacking energy: -120.280
Base-Backbone interact. energy: -0.495
local terms energy: -137.587461
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -33.162
flat angles C4'-P-C4' energy: -35.330
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -31.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -388.118812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.118812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.118812 (E_RNA)
where:
Base-Base interactions energy: -250.186
where: short stacking energy: -122.659
Base-Backbone interact. energy: -0.502
local terms energy: -137.430696
where:
bonds (distance) C4'-P energy: -34.327
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -23.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -381.369582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.369582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.369582 (E_RNA)
where:
Base-Base interactions energy: -236.766
where: short stacking energy: -117.711
Base-Backbone interact. energy: 1.397
local terms energy: -146.000356
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -32.242
flat angles C4'-P-C4' energy: -32.627
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -22.396
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: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -303.017760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.017760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.017760 (E_RNA)
where:
Base-Base interactions energy: -173.737
where: short stacking energy: -89.445
Base-Backbone interact. energy: -0.292
local terms energy: -128.988532
where:
bonds (distance) C4'-P energy: -29.355
bonds (distance) P-C4' energy: -30.439
flat angles C4'-P-C4' energy: -35.335
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -16.425
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: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -310.917113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.917113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.917113 (E_RNA)
where:
Base-Base interactions energy: -181.876
where: short stacking energy: -83.316
Base-Backbone interact. energy: -0.084
local terms energy: -128.956883
where:
bonds (distance) C4'-P energy: -34.034
bonds (distance) P-C4' energy: -33.053
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -16.207
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: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -230.289822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.289822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.289822 (E_RNA)
where:
Base-Base interactions energy: -109.199
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.275
local terms energy: -120.815424
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -568.541778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.541778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.541778 (E_RNA)
where:
Base-Base interactions energy: -374.370
where: short stacking energy: -185.943
Base-Backbone interact. energy: -0.193
local terms energy: -193.978508
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -37.167
flat angles C4'-P-C4' energy: -37.704
flat angles P-C4'-P energy: -23.404
tors. eta vs tors. theta energy: -56.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -523.549758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.549758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.549758 (E_RNA)
where:
Base-Base interactions energy: -351.152
where: short stacking energy: -158.213
Base-Backbone interact. energy: -0.066
local terms energy: -172.331027
where:
bonds (distance) C4'-P energy: -32.717
bonds (distance) P-C4' energy: -30.354
flat angles C4'-P-C4' energy: -41.366
flat angles P-C4'-P energy: -23.911
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: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -522.263186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.263186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.263186 (E_RNA)
where:
Base-Base interactions energy: -353.516
where: short stacking energy: -180.986
Base-Backbone interact. energy: -0.394
local terms energy: -168.354095
where:
bonds (distance) C4'-P energy: -30.780
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -25.801
tors. eta vs tors. theta energy: -44.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -486.733109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.733109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.733109 (E_RNA)
where:
Base-Base interactions energy: -313.922
where: short stacking energy: -157.963
Base-Backbone interact. energy: -1.545
local terms energy: -171.266166
where:
bonds (distance) C4'-P energy: -29.091
bonds (distance) P-C4' energy: -31.493
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -27.100
tors. eta vs tors. theta energy: -47.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -439.944917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.944917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.944917 (E_RNA)
where:
Base-Base interactions energy: -272.990
where: short stacking energy: -135.640
Base-Backbone interact. energy: -0.587
local terms energy: -166.367419
where:
bonds (distance) C4'-P energy: -38.712
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -42.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -408.006861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.006861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.006861 (E_RNA)
where:
Base-Base interactions energy: -262.857
where: short stacking energy: -138.401
Base-Backbone interact. energy: -1.220
local terms energy: -143.929672
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -33.518
flat angles C4'-P-C4' energy: -25.630
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -41.160
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: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -407.325260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.325260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.325260 (E_RNA)
where:
Base-Base interactions energy: -277.288
where: short stacking energy: -120.875
Base-Backbone interact. energy: -1.415
local terms energy: -128.622203
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -32.764
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -348.592035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.592035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.592035 (E_RNA)
where:
Base-Base interactions energy: -215.083
where: short stacking energy: -101.260
Base-Backbone interact. energy: -0.383
local terms energy: -133.126463
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -18.618
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: 439
Temperature: 1.300000
Total energy: -301.879743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.879743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.879743 (E_RNA)
where:
Base-Base interactions energy: -173.374
where: short stacking energy: -90.174
Base-Backbone interact. energy: -0.528
local terms energy: -127.977029
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -32.418
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -19.577
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: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -216.887604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.887604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.887604 (E_RNA)
where:
Base-Base interactions energy: -100.058
where: short stacking energy: -56.034
Base-Backbone interact. energy: -1.144
local terms energy: -115.685270
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -31.900
flat angles C4'-P-C4' energy: -28.171
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -4.444
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: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -564.179927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.179927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.179927 (E_RNA)
where:
Base-Base interactions energy: -369.616
where: short stacking energy: -179.532
Base-Backbone interact. energy: 0.200
local terms energy: -194.763524
where:
bonds (distance) C4'-P energy: -34.796
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -40.986
flat angles P-C4'-P energy: -31.507
tors. eta vs tors. theta energy: -52.778
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: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -523.210510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.210510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.210510 (E_RNA)
where:
Base-Base interactions energy: -361.373
where: short stacking energy: -155.514
Base-Backbone interact. energy: 0.551
local terms energy: -162.388054
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -25.851
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -42.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -495.053665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.053665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.053665 (E_RNA)
where:
Base-Base interactions energy: -335.620
where: short stacking energy: -146.005
Base-Backbone interact. energy: -0.700
local terms energy: -158.733690
where:
bonds (distance) C4'-P energy: -34.400
bonds (distance) P-C4' energy: -30.678
flat angles C4'-P-C4' energy: -39.178
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -33.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -485.907322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.907322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.907322 (E_RNA)
where:
Base-Base interactions energy: -320.724
where: short stacking energy: -157.338
Base-Backbone interact. energy: -0.114
local terms energy: -165.069028
where:
bonds (distance) C4'-P energy: -32.269
bonds (distance) P-C4' energy: -34.644
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -460.553851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.553851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.553851 (E_RNA)
where:
Base-Base interactions energy: -300.638
where: short stacking energy: -146.010
Base-Backbone interact. energy: 0.247
local terms energy: -160.162681
where:
bonds (distance) C4'-P energy: -34.008
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -40.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -399.204723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.204723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.204723 (E_RNA)
where:
Base-Base interactions energy: -259.148
where: short stacking energy: -125.453
Base-Backbone interact. energy: -0.371
local terms energy: -139.685465
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -34.533
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -23.727
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: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -414.498571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.498571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.498571 (E_RNA)
where:
Base-Base interactions energy: -278.140
where: short stacking energy: -115.467
Base-Backbone interact. energy: -0.909
local terms energy: -135.450005
where:
bonds (distance) C4'-P energy: -26.429
bonds (distance) P-C4' energy: -28.093
flat angles C4'-P-C4' energy: -29.333
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -311.952246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.952246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.952246 (E_RNA)
where:
Base-Base interactions energy: -179.779
where: short stacking energy: -76.385
Base-Backbone interact. energy: -0.725
local terms energy: -131.448150
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -35.270
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -20.933
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -310.699551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.699551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.699551 (E_RNA)
where:
Base-Base interactions energy: -179.399
where: short stacking energy: -96.249
Base-Backbone interact. energy: -0.307
local terms energy: -130.993380
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -28.483
flat angles C4'-P-C4' energy: -37.825
flat angles P-C4'-P energy: -18.236
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -222.322748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.322748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.322748 (E_RNA)
where:
Base-Base interactions energy: -105.725
where: short stacking energy: -59.515
Base-Backbone interact. energy: 1.461
local terms energy: -118.058646
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -31.580
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -11.045
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: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -561.003649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.003649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.003649 (E_RNA)
where:
Base-Base interactions energy: -377.966
where: short stacking energy: -187.156
Base-Backbone interact. energy: -0.025
local terms energy: -183.012458
where:
bonds (distance) C4'-P energy: -34.663
bonds (distance) P-C4' energy: -39.441
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -25.422
tors. eta vs tors. theta energy: -52.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -510.811181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.811181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.811181 (E_RNA)
where:
Base-Base interactions energy: -350.296
where: short stacking energy: -154.664
Base-Backbone interact. energy: -0.301
local terms energy: -160.213654
where:
bonds (distance) C4'-P energy: -33.594
bonds (distance) P-C4' energy: -30.189
flat angles C4'-P-C4' energy: -32.474
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: -37.738
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: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -511.201490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.201490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.201490 (E_RNA)
where:
Base-Base interactions energy: -349.693
where: short stacking energy: -173.473
Base-Backbone interact. energy: -0.847
local terms energy: -160.661650
where:
bonds (distance) C4'-P energy: -26.292
bonds (distance) P-C4' energy: -32.062
flat angles C4'-P-C4' energy: -35.669
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -41.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -483.699440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.699440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.699440 (E_RNA)
where:
Base-Base interactions energy: -303.713
where: short stacking energy: -159.768
Base-Backbone interact. energy: -1.016
local terms energy: -178.970824
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -32.361
flat angles C4'-P-C4' energy: -34.586
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: -48.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -458.817150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.817150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.817150 (E_RNA)
where:
Base-Base interactions energy: -308.586
where: short stacking energy: -155.870
Base-Backbone interact. energy: -0.585
local terms energy: -149.646764
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -41.780
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: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -401.719121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.719121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.719121 (E_RNA)
where:
Base-Base interactions energy: -253.021
where: short stacking energy: -110.172
Base-Backbone interact. energy: -0.609
local terms energy: -148.088788
where:
bonds (distance) C4'-P energy: -32.118
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -25.033
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -384.727851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.727851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.727851 (E_RNA)
where:
Base-Base interactions energy: -245.544
where: short stacking energy: -124.247
Base-Backbone interact. energy: 0.085
local terms energy: -139.269158
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -35.378
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -338.729622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.729622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.729622 (E_RNA)
where:
Base-Base interactions energy: -211.199
where: short stacking energy: -85.258
Base-Backbone interact. energy: -1.972
local terms energy: -125.558343
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -36.795
flat angles C4'-P-C4' energy: -32.304
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -11.618
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: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -304.772212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.772212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.772212 (E_RNA)
where:
Base-Base interactions energy: -186.201
where: short stacking energy: -81.896
Base-Backbone interact. energy: -0.684
local terms energy: -117.887703
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -219.858001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.858001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.858001 (E_RNA)
where:
Base-Base interactions energy: -125.814
where: short stacking energy: -57.967
Base-Backbone interact. energy: 1.017
local terms energy: -95.060712
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -30.532
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -5.177
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: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -571.299689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.299689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.299689 (E_RNA)
where:
Base-Base interactions energy: -379.362
where: short stacking energy: -185.712
Base-Backbone interact. energy: -0.119
local terms energy: -191.818961
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -38.223
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -50.380
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: 442
Temperature: 0.950000
Total energy: -530.776379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.776379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.776379 (E_RNA)
where:
Base-Base interactions energy: -353.735
where: short stacking energy: -150.118
Base-Backbone interact. energy: -0.190
local terms energy: -176.850914
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -38.038
flat angles C4'-P-C4' energy: -37.892
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -38.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -514.035414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.035414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.035414 (E_RNA)
where:
Base-Base interactions energy: -336.138
where: short stacking energy: -160.979
Base-Backbone interact. energy: -0.346
local terms energy: -177.551220
where:
bonds (distance) C4'-P energy: -35.156
bonds (distance) P-C4' energy: -36.903
flat angles C4'-P-C4' energy: -39.414
flat angles P-C4'-P energy: -25.761
tors. eta vs tors. theta energy: -40.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -469.309939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.309939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.309939 (E_RNA)
where:
Base-Base interactions energy: -308.775
where: short stacking energy: -163.337
Base-Backbone interact. energy: -0.121
local terms energy: -160.413365
where:
bonds (distance) C4'-P energy: -30.742
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -36.975
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -42.475
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: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -465.026400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.026400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.026400 (E_RNA)
where:
Base-Base interactions energy: -302.504
where: short stacking energy: -143.396
Base-Backbone interact. energy: -0.938
local terms energy: -161.584640
where:
bonds (distance) C4'-P energy: -33.644
bonds (distance) P-C4' energy: -32.221
flat angles C4'-P-C4' energy: -35.293
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: -34.560
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: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -411.065334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.065334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.065334 (E_RNA)
where:
Base-Base interactions energy: -266.653
where: short stacking energy: -132.624
Base-Backbone interact. energy: 0.323
local terms energy: -144.734642
where:
bonds (distance) C4'-P energy: -26.757
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -30.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -411.674278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.674278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.674278 (E_RNA)
where:
Base-Base interactions energy: -271.462
where: short stacking energy: -120.355
Base-Backbone interact. energy: -0.191
local terms energy: -140.021880
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -29.540
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -33.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -356.784857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.784857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.784857 (E_RNA)
where:
Base-Base interactions energy: -211.219
where: short stacking energy: -110.880
Base-Backbone interact. energy: -0.291
local terms energy: -145.274760
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -36.559
flat angles C4'-P-C4' energy: -34.705
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -29.612
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: 442
Temperature: 1.300000
Total energy: -234.355965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.355965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.355965 (E_RNA)
where:
Base-Base interactions energy: -116.321
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.938
local terms energy: -117.097311
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -285.867106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.867106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.867106 (E_RNA)
where:
Base-Base interactions energy: -163.445
where: short stacking energy: -81.353
Base-Backbone interact. energy: 1.099
local terms energy: -123.521406
where:
bonds (distance) C4'-P energy: -28.305
bonds (distance) P-C4' energy: -28.548
flat angles C4'-P-C4' energy: -33.777
flat angles P-C4'-P energy: -28.607
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -571.328836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.328836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.328836 (E_RNA)
where:
Base-Base interactions energy: -377.488
where: short stacking energy: -188.345
Base-Backbone interact. energy: -0.557
local terms energy: -193.283540
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -43.449
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -52.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -530.900581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.900581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.900581 (E_RNA)
where:
Base-Base interactions energy: -354.213
where: short stacking energy: -159.369
Base-Backbone interact. energy: -0.230
local terms energy: -176.457773
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -39.982
flat angles C4'-P-C4' energy: -36.479
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -40.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -510.631432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.631432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.631432 (E_RNA)
where:
Base-Base interactions energy: -345.569
where: short stacking energy: -172.046
Base-Backbone interact. energy: 0.696
local terms energy: -165.758185
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -32.891
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -44.034
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: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -476.695436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.695436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.695436 (E_RNA)
where:
Base-Base interactions energy: -309.714
where: short stacking energy: -151.851
Base-Backbone interact. energy: 0.267
local terms energy: -167.248240
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -33.823
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -40.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -456.887659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.887659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.887659 (E_RNA)
where:
Base-Base interactions energy: -301.054
where: short stacking energy: -148.463
Base-Backbone interact. energy: -0.585
local terms energy: -155.248177
where:
bonds (distance) C4'-P energy: -32.981
bonds (distance) P-C4' energy: -28.795
flat angles C4'-P-C4' energy: -35.156
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -41.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -416.023963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.023963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.023963 (E_RNA)
where:
Base-Base interactions energy: -264.038
where: short stacking energy: -133.819
Base-Backbone interact. energy: 0.036
local terms energy: -152.021596
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -32.424
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -37.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -368.701481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.701481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.701481 (E_RNA)
where:
Base-Base interactions energy: -250.609
where: short stacking energy: -111.396
Base-Backbone interact. energy: 3.022
local terms energy: -121.114269
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -29.546
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -382.869717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.869717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.869717 (E_RNA)
where:
Base-Base interactions energy: -253.476
where: short stacking energy: -115.574
Base-Backbone interact. energy: -0.022
local terms energy: -129.372501
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -31.583
flat angles C4'-P-C4' energy: -27.855
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: -24.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -236.009277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.009277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.009277 (E_RNA)
where:
Base-Base interactions energy: -118.581
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.438
local terms energy: -116.989993
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -7.326
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: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -292.666594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.666594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.666594 (E_RNA)
where:
Base-Base interactions energy: -173.693
where: short stacking energy: -81.927
Base-Backbone interact. energy: -0.477
local terms energy: -118.497093
where:
bonds (distance) C4'-P energy: -26.238
bonds (distance) P-C4' energy: -38.571
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -23.614
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: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -571.598255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.598255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.598255 (E_RNA)
where:
Base-Base interactions energy: -375.525
where: short stacking energy: -194.853
Base-Backbone interact. energy: 0.083
local terms energy: -196.156262
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -35.195
flat angles C4'-P-C4' energy: -39.424
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -57.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -527.136772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.136772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.136772 (E_RNA)
where:
Base-Base interactions energy: -351.959
where: short stacking energy: -158.817
Base-Backbone interact. energy: -0.887
local terms energy: -174.290480
where:
bonds (distance) C4'-P energy: -32.601
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -36.555
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -40.869
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: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -519.151275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.151275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.151275 (E_RNA)
where:
Base-Base interactions energy: -340.599
where: short stacking energy: -164.306
Base-Backbone interact. energy: -0.114
local terms energy: -178.438113
where:
bonds (distance) C4'-P energy: -36.563
bonds (distance) P-C4' energy: -36.062
flat angles C4'-P-C4' energy: -37.806
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -41.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -481.758597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.758597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.758597 (E_RNA)
where:
Base-Base interactions energy: -306.392
where: short stacking energy: -154.800
Base-Backbone interact. energy: -0.191
local terms energy: -175.176157
where:
bonds (distance) C4'-P energy: -29.750
bonds (distance) P-C4' energy: -39.823
flat angles C4'-P-C4' energy: -35.120
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -42.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -439.917579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.917579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.917579 (E_RNA)
where:
Base-Base interactions energy: -294.186
where: short stacking energy: -135.583
Base-Backbone interact. energy: -1.051
local terms energy: -144.680759
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -18.817
tors. eta vs tors. theta energy: -34.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -403.847674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.847674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.847674 (E_RNA)
where:
Base-Base interactions energy: -268.250
where: short stacking energy: -122.696
Base-Backbone interact. energy: -0.174
local terms energy: -135.423795
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -34.539
flat angles C4'-P-C4' energy: -34.538
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -397.481619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.481619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.481619 (E_RNA)
where:
Base-Base interactions energy: -264.566
where: short stacking energy: -111.019
Base-Backbone interact. energy: -0.462
local terms energy: -132.453605
where:
bonds (distance) C4'-P energy: -29.014
bonds (distance) P-C4' energy: -33.937
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -22.547
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: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -342.251733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.251733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.251733 (E_RNA)
where:
Base-Base interactions energy: -210.373
where: short stacking energy: -104.028
Base-Backbone interact. energy: -1.032
local terms energy: -130.847259
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -27.023
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -302.807196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.807196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.807196 (E_RNA)
where:
Base-Base interactions energy: -196.650
where: short stacking energy: -99.428
Base-Backbone interact. energy: -0.251
local terms energy: -105.906791
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -30.130
flat angles P-C4'-P energy: -20.525
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: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -220.120553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.120553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.120553 (E_RNA)
where:
Base-Base interactions energy: -118.246
where: short stacking energy: -72.293
Base-Backbone interact. energy: -1.055
local terms energy: -100.819806
where:
bonds (distance) C4'-P energy: -32.303
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -585.546478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.546478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.546478 (E_RNA)
where:
Base-Base interactions energy: -383.252
where: short stacking energy: -195.815
Base-Backbone interact. energy: -0.738
local terms energy: -201.556588
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -37.813
flat angles C4'-P-C4' energy: -41.217
flat angles P-C4'-P energy: -34.126
tors. eta vs tors. theta energy: -58.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -528.212370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.212370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.212370 (E_RNA)
where:
Base-Base interactions energy: -360.199
where: short stacking energy: -172.816
Base-Backbone interact. energy: -1.011
local terms energy: -167.002407
where:
bonds (distance) C4'-P energy: -28.241
bonds (distance) P-C4' energy: -33.215
flat angles C4'-P-C4' energy: -40.580
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -42.584
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: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -514.905551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.905551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.905551 (E_RNA)
where:
Base-Base interactions energy: -348.449
where: short stacking energy: -164.397
Base-Backbone interact. energy: -0.520
local terms energy: -165.936224
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -36.989
flat angles P-C4'-P energy: -28.403
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: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -489.048746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.048746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.048746 (E_RNA)
where:
Base-Base interactions energy: -325.420
where: short stacking energy: -158.238
Base-Backbone interact. energy: -0.048
local terms energy: -163.581570
where:
bonds (distance) C4'-P energy: -32.479
bonds (distance) P-C4' energy: -38.832
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -20.473
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: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -460.905149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.905149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.905149 (E_RNA)
where:
Base-Base interactions energy: -296.030
where: short stacking energy: -154.130
Base-Backbone interact. energy: -0.225
local terms energy: -164.650009
where:
bonds (distance) C4'-P energy: -31.760
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -32.544
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -38.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -422.432305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.432305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.432305 (E_RNA)
where:
Base-Base interactions energy: -274.050
where: short stacking energy: -134.640
Base-Backbone interact. energy: -1.692
local terms energy: -146.690217
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -34.337
flat angles C4'-P-C4' energy: -29.702
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -33.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -409.852059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.852059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.852059 (E_RNA)
where:
Base-Base interactions energy: -270.381
where: short stacking energy: -122.923
Base-Backbone interact. energy: 1.469
local terms energy: -140.939975
where:
bonds (distance) C4'-P energy: -33.817
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -27.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -312.162642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.162642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.162642 (E_RNA)
where:
Base-Base interactions energy: -195.345
where: short stacking energy: -97.808
Base-Backbone interact. energy: 0.301
local terms energy: -117.118089
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -28.138
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -15.883
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: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -324.259056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.259056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.259056 (E_RNA)
where:
Base-Base interactions energy: -205.330
where: short stacking energy: -98.846
Base-Backbone interact. energy: -0.350
local terms energy: -118.578779
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -226.271500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.271500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.271500 (E_RNA)
where:
Base-Base interactions energy: -115.905
where: short stacking energy: -70.753
Base-Backbone interact. energy: 0.653
local terms energy: -111.019998
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -568.459214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.459214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.459214 (E_RNA)
where:
Base-Base interactions energy: -387.703
where: short stacking energy: -194.487
Base-Backbone interact. energy: -0.022
local terms energy: -180.734394
where:
bonds (distance) C4'-P energy: -31.047
bonds (distance) P-C4' energy: -32.604
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -56.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -517.408770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.408770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.408770 (E_RNA)
where:
Base-Base interactions energy: -332.518
where: short stacking energy: -155.986
Base-Backbone interact. energy: -0.214
local terms energy: -184.676387
where:
bonds (distance) C4'-P energy: -37.297
bonds (distance) P-C4' energy: -36.375
flat angles C4'-P-C4' energy: -38.145
flat angles P-C4'-P energy: -29.161
tors. eta vs tors. theta energy: -43.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -511.482712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.482712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.482712 (E_RNA)
where:
Base-Base interactions energy: -335.033
where: short stacking energy: -172.389
Base-Backbone interact. energy: -0.691
local terms energy: -175.759308
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -38.608
flat angles C4'-P-C4' energy: -34.719
flat angles P-C4'-P energy: -31.857
tors. eta vs tors. theta energy: -46.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -489.498855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.498855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.498855 (E_RNA)
where:
Base-Base interactions energy: -336.697
where: short stacking energy: -151.468
Base-Backbone interact. energy: -0.732
local terms energy: -152.069983
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -34.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -454.172833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.172833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.172833 (E_RNA)
where:
Base-Base interactions energy: -283.029
where: short stacking energy: -150.334
Base-Backbone interact. energy: -0.176
local terms energy: -170.968290
where:
bonds (distance) C4'-P energy: -37.751
bonds (distance) P-C4' energy: -30.634
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -23.118
tors. eta vs tors. theta energy: -45.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -429.243278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.243278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.243278 (E_RNA)
where:
Base-Base interactions energy: -280.985
where: short stacking energy: -123.620
Base-Backbone interact. energy: 1.189
local terms energy: -149.447019
where:
bonds (distance) C4'-P energy: -33.235
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -31.011
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -34.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -416.976266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.976266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.976266 (E_RNA)
where:
Base-Base interactions energy: -268.897
where: short stacking energy: -123.950
Base-Backbone interact. energy: 0.393
local terms energy: -148.472336
where:
bonds (distance) C4'-P energy: -27.190
bonds (distance) P-C4' energy: -36.888
flat angles C4'-P-C4' energy: -37.177
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -336.321744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.321744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.321744 (E_RNA)
where:
Base-Base interactions energy: -198.355
where: short stacking energy: -97.043
Base-Backbone interact. energy: -0.499
local terms energy: -137.467773
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -23.406
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: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -329.228590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.228590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.228590 (E_RNA)
where:
Base-Base interactions energy: -212.250
where: short stacking energy: -88.161
Base-Backbone interact. energy: 0.658
local terms energy: -117.636502
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -17.496
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: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -225.082476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.082476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.082476 (E_RNA)
where:
Base-Base interactions energy: -107.751
where: short stacking energy: -59.299
Base-Backbone interact. energy: -1.293
local terms energy: -116.038989
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -35.044
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -563.111852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.111852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.111852 (E_RNA)
where:
Base-Base interactions energy: -371.236
where: short stacking energy: -173.815
Base-Backbone interact. energy: -0.033
local terms energy: -191.843813
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -38.708
flat angles C4'-P-C4' energy: -41.440
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -54.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -529.240088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.240088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.240088 (E_RNA)
where:
Base-Base interactions energy: -334.217
where: short stacking energy: -171.265
Base-Backbone interact. energy: -0.564
local terms energy: -194.458890
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -42.300
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -51.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -498.901037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.901037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.901037 (E_RNA)
where:
Base-Base interactions energy: -325.219
where: short stacking energy: -150.013
Base-Backbone interact. energy: -1.281
local terms energy: -172.400846
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -33.967
flat angles C4'-P-C4' energy: -37.492
flat angles P-C4'-P energy: -31.362
tors. eta vs tors. theta energy: -34.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -492.175971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.175971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.175971 (E_RNA)
where:
Base-Base interactions energy: -323.995
where: short stacking energy: -140.407
Base-Backbone interact. energy: -0.419
local terms energy: -167.762057
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -33.620
flat angles C4'-P-C4' energy: -37.222
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -40.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -434.214013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.214013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.214013 (E_RNA)
where:
Base-Base interactions energy: -282.432
where: short stacking energy: -131.571
Base-Backbone interact. energy: -0.313
local terms energy: -151.469357
where:
bonds (distance) C4'-P energy: -34.717
bonds (distance) P-C4' energy: -33.626
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -32.252
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: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -439.943994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.943994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.943994 (E_RNA)
where:
Base-Base interactions energy: -299.634
where: short stacking energy: -135.020
Base-Backbone interact. energy: -0.825
local terms energy: -139.485288
where:
bonds (distance) C4'-P energy: -28.731
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -33.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -369.407293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.407293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.407293 (E_RNA)
where:
Base-Base interactions energy: -244.417
where: short stacking energy: -114.371
Base-Backbone interact. energy: -1.662
local terms energy: -123.328135
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -29.533
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -23.683
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: 447
Temperature: 1.250000
Total energy: -356.572493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.572493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.572493 (E_RNA)
where:
Base-Base interactions energy: -213.002
where: short stacking energy: -106.449
Base-Backbone interact. energy: -0.507
local terms energy: -143.064239
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -32.464
flat angles C4'-P-C4' energy: -37.902
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -346.388523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.388523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.388523 (E_RNA)
where:
Base-Base interactions energy: -233.528
where: short stacking energy: -94.151
Base-Backbone interact. energy: -0.850
local terms energy: -112.011122
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -21.174
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: 447
Temperature: 1.350000
Total energy: -216.466783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.466783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.466783 (E_RNA)
where:
Base-Base interactions energy: -119.849
where: short stacking energy: -78.310
Base-Backbone interact. energy: 0.391
local terms energy: -97.008085
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: 0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -571.575740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.575740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.575740 (E_RNA)
where:
Base-Base interactions energy: -386.070
where: short stacking energy: -201.921
Base-Backbone interact. energy: -0.246
local terms energy: -185.260088
where:
bonds (distance) C4'-P energy: -29.745
bonds (distance) P-C4' energy: -33.030
flat angles C4'-P-C4' energy: -40.239
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: -56.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -524.447931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.447931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.447931 (E_RNA)
where:
Base-Base interactions energy: -351.258
where: short stacking energy: -186.237
Base-Backbone interact. energy: -0.070
local terms energy: -173.119359
where:
bonds (distance) C4'-P energy: -34.302
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -49.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -506.145814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.145814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.145814 (E_RNA)
where:
Base-Base interactions energy: -342.865
where: short stacking energy: -158.245
Base-Backbone interact. energy: -0.582
local terms energy: -162.699017
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -35.331
flat angles C4'-P-C4' energy: -31.098
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -40.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -487.196824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.196824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.196824 (E_RNA)
where:
Base-Base interactions energy: -335.304
where: short stacking energy: -143.157
Base-Backbone interact. energy: 0.593
local terms energy: -152.485625
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -33.934
flat angles C4'-P-C4' energy: -31.442
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: -34.951
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: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -434.063522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.063522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.063522 (E_RNA)
where:
Base-Base interactions energy: -279.477
where: short stacking energy: -141.109
Base-Backbone interact. energy: -0.348
local terms energy: -154.237768
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -35.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -415.648443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.648443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.648443 (E_RNA)
where:
Base-Base interactions energy: -271.067
where: short stacking energy: -114.109
Base-Backbone interact. energy: 0.985
local terms energy: -145.565830
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -34.415
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -26.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -349.715170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.715170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.715170 (E_RNA)
where:
Base-Base interactions energy: -220.085
where: short stacking energy: -112.256
Base-Backbone interact. energy: -0.416
local terms energy: -129.214639
where:
bonds (distance) C4'-P energy: -31.661
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -29.449
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -29.935
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: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -370.728194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.728194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.728194 (E_RNA)
where:
Base-Base interactions energy: -237.514
where: short stacking energy: -110.739
Base-Backbone interact. energy: -0.316
local terms energy: -132.898086
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -309.205809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.205809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.205809 (E_RNA)
where:
Base-Base interactions energy: -192.738
where: short stacking energy: -80.780
Base-Backbone interact. energy: -1.352
local terms energy: -115.115867
where:
bonds (distance) C4'-P energy: -27.004
bonds (distance) P-C4' energy: -33.646
flat angles C4'-P-C4' energy: -26.687
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -234.846627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.846627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.846627 (E_RNA)
where:
Base-Base interactions energy: -130.833
where: short stacking energy: -76.216
Base-Backbone interact. energy: -1.005
local terms energy: -103.008207
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -30.931
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -9.476
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: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -570.338639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.338639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.338639 (E_RNA)
where:
Base-Base interactions energy: -385.701
where: short stacking energy: -199.628
Base-Backbone interact. energy: -0.018
local terms energy: -184.619998
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -32.992
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -58.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -520.794054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.794054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.794054 (E_RNA)
where:
Base-Base interactions energy: -350.208
where: short stacking energy: -164.787
Base-Backbone interact. energy: -0.100
local terms energy: -170.486942
where:
bonds (distance) C4'-P energy: -32.080
bonds (distance) P-C4' energy: -40.089
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -47.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -527.515043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.515043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.515043 (E_RNA)
where:
Base-Base interactions energy: -348.204
where: short stacking energy: -162.050
Base-Backbone interact. energy: -0.111
local terms energy: -179.199787
where:
bonds (distance) C4'-P energy: -31.173
bonds (distance) P-C4' energy: -38.046
flat angles C4'-P-C4' energy: -41.976
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: -44.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -498.883935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.883935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.883935 (E_RNA)
where:
Base-Base interactions energy: -355.820
where: short stacking energy: -151.806
Base-Backbone interact. energy: 0.503
local terms energy: -143.566031
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -38.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -431.967416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.967416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.967416 (E_RNA)
where:
Base-Base interactions energy: -274.096
where: short stacking energy: -135.184
Base-Backbone interact. energy: -0.995
local terms energy: -156.876489
where:
bonds (distance) C4'-P energy: -32.184
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -37.696
flat angles P-C4'-P energy: -19.148
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: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -417.910374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.910374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.910374 (E_RNA)
where:
Base-Base interactions energy: -255.292
where: short stacking energy: -122.838
Base-Backbone interact. energy: 0.130
local terms energy: -162.748306
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -34.176
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -30.815
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: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -359.333451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.333451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.333451 (E_RNA)
where:
Base-Base interactions energy: -227.287
where: short stacking energy: -110.002
Base-Backbone interact. energy: -1.757
local terms energy: -130.289251
where:
bonds (distance) C4'-P energy: -27.198
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -26.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -375.415292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.415292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.415292 (E_RNA)
where:
Base-Base interactions energy: -235.647
where: short stacking energy: -119.258
Base-Backbone interact. energy: -0.060
local terms energy: -139.708033
where:
bonds (distance) C4'-P energy: -30.804
bonds (distance) P-C4' energy: -29.286
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -25.646
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -332.676319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.676319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.676319 (E_RNA)
where:
Base-Base interactions energy: -210.241
where: short stacking energy: -105.113
Base-Backbone interact. energy: 0.805
local terms energy: -123.240820
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -32.668
flat angles P-C4'-P energy: -18.353
tors. eta vs tors. theta energy: -22.024
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: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -242.068050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.068050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.068050 (E_RNA)
where:
Base-Base interactions energy: -131.706
where: short stacking energy: -82.526
Base-Backbone interact. energy: -1.276
local terms energy: -109.085871
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -13.518
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: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -566.931206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.931206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.931206 (E_RNA)
where:
Base-Base interactions energy: -376.979
where: short stacking energy: -189.688
Base-Backbone interact. energy: -0.025
local terms energy: -189.926906
where:
bonds (distance) C4'-P energy: -32.496
bonds (distance) P-C4' energy: -37.114
flat angles C4'-P-C4' energy: -36.257
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: -58.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -510.865355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.865355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.865355 (E_RNA)
where:
Base-Base interactions energy: -337.634
where: short stacking energy: -172.943
Base-Backbone interact. energy: -0.454
local terms energy: -172.777188
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -32.384
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -27.172
tors. eta vs tors. theta energy: -46.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -523.984978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.984978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.984978 (E_RNA)
where:
Base-Base interactions energy: -353.814
where: short stacking energy: -147.391
Base-Backbone interact. energy: -0.442
local terms energy: -169.728670
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -35.546
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -39.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -504.987665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.987665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.987665 (E_RNA)
where:
Base-Base interactions energy: -332.858
where: short stacking energy: -158.541
Base-Backbone interact. energy: 0.116
local terms energy: -172.245273
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -37.140
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -25.427
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: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -463.076949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.076949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.076949 (E_RNA)
where:
Base-Base interactions energy: -294.908
where: short stacking energy: -154.105
Base-Backbone interact. energy: -0.139
local terms energy: -168.030055
where:
bonds (distance) C4'-P energy: -35.090
bonds (distance) P-C4' energy: -37.320
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -41.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -404.801702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.801702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.801702 (E_RNA)
where:
Base-Base interactions energy: -256.998
where: short stacking energy: -124.519
Base-Backbone interact. energy: -0.921
local terms energy: -146.883042
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -34.400
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -33.875
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: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -356.158887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.158887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.158887 (E_RNA)
where:
Base-Base interactions energy: -232.675
where: short stacking energy: -111.816
Base-Backbone interact. energy: -1.062
local terms energy: -122.421731
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -22.127
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -24.732
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: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -337.202225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.202225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.202225 (E_RNA)
where:
Base-Base interactions energy: -211.916
where: short stacking energy: -105.625
Base-Backbone interact. energy: 0.318
local terms energy: -125.604247
where:
bonds (distance) C4'-P energy: -23.309
bonds (distance) P-C4' energy: -28.798
flat angles C4'-P-C4' energy: -35.142
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -295.879861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.879861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.879861 (E_RNA)
where:
Base-Base interactions energy: -169.480
where: short stacking energy: -82.672
Base-Backbone interact. energy: 1.794
local terms energy: -128.193852
where:
bonds (distance) C4'-P energy: -31.962
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -215.537761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.537761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.537761 (E_RNA)
where:
Base-Base interactions energy: -105.599
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.356
local terms energy: -109.582947
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -585.263278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.263278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.263278 (E_RNA)
where:
Base-Base interactions energy: -389.290
where: short stacking energy: -196.563
Base-Backbone interact. energy: -0.059
local terms energy: -195.914296
where:
bonds (distance) C4'-P energy: -35.350
bonds (distance) P-C4' energy: -34.960
flat angles C4'-P-C4' energy: -39.147
flat angles P-C4'-P energy: -28.994
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: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -522.633643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.633643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.633643 (E_RNA)
where:
Base-Base interactions energy: -357.908
where: short stacking energy: -144.803
Base-Backbone interact. energy: -1.205
local terms energy: -163.521205
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -34.774
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -39.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -525.716092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.716092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.716092 (E_RNA)
where:
Base-Base interactions energy: -355.256
where: short stacking energy: -177.021
Base-Backbone interact. energy: -0.333
local terms energy: -170.127047
where:
bonds (distance) C4'-P energy: -34.199
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -37.112
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -49.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -478.539010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.539010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.539010 (E_RNA)
where:
Base-Base interactions energy: -310.707
where: short stacking energy: -151.877
Base-Backbone interact. energy: -0.045
local terms energy: -167.786673
where:
bonds (distance) C4'-P energy: -39.373
bonds (distance) P-C4' energy: -26.784
flat angles C4'-P-C4' energy: -31.388
flat angles P-C4'-P energy: -23.643
tors. eta vs tors. theta energy: -46.598
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -461.166243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.166243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.166243 (E_RNA)
where:
Base-Base interactions energy: -304.131
where: short stacking energy: -161.535
Base-Backbone interact. energy: -0.217
local terms energy: -156.818291
where:
bonds (distance) C4'-P energy: -25.602
bonds (distance) P-C4' energy: -36.574
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -42.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -379.155512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.155512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.155512 (E_RNA)
where:
Base-Base interactions energy: -236.710
where: short stacking energy: -110.502
Base-Backbone interact. energy: -1.167
local terms energy: -141.278940
where:
bonds (distance) C4'-P energy: -27.835
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -35.384
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -347.120249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.120249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.120249 (E_RNA)
where:
Base-Base interactions energy: -218.858
where: short stacking energy: -110.317
Base-Backbone interact. energy: -0.762
local terms energy: -127.499966
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -36.375
flat angles C4'-P-C4' energy: -32.915
flat angles P-C4'-P energy: -23.571
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -346.869003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.869003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.869003 (E_RNA)
where:
Base-Base interactions energy: -228.898
where: short stacking energy: -113.123
Base-Backbone interact. energy: -0.908
local terms energy: -117.063470
where:
bonds (distance) C4'-P energy: -30.109
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -22.929
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: 451
Temperature: 1.300000
Total energy: -335.390706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.390706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.390706 (E_RNA)
where:
Base-Base interactions energy: -209.886
where: short stacking energy: -105.657
Base-Backbone interact. energy: -0.529
local terms energy: -124.975750
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -28.389
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -216.957396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.957396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.957396 (E_RNA)
where:
Base-Base interactions energy: -103.316
where: short stacking energy: -60.024
Base-Backbone interact. energy: 0.663
local terms energy: -114.304293
where:
bonds (distance) C4'-P energy: -32.503
bonds (distance) P-C4' energy: -31.286
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -576.200878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.200878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.200878 (E_RNA)
where:
Base-Base interactions energy: -396.386
where: short stacking energy: -200.261
Base-Backbone interact. energy: -0.005
local terms energy: -179.809283
where:
bonds (distance) C4'-P energy: -33.863
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -37.739
flat angles P-C4'-P energy: -22.130
tors. eta vs tors. theta energy: -57.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -516.682665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.682665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.682665 (E_RNA)
where:
Base-Base interactions energy: -352.104
where: short stacking energy: -148.916
Base-Backbone interact. energy: 0.262
local terms energy: -164.840842
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -36.795
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -20.638
tors. eta vs tors. theta energy: -36.887
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: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -490.779879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.779879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.779879 (E_RNA)
where:
Base-Base interactions energy: -327.095
where: short stacking energy: -157.695
Base-Backbone interact. energy: -0.104
local terms energy: -163.581520
where:
bonds (distance) C4'-P energy: -32.775
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -38.435
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -38.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -480.188481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.188481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.188481 (E_RNA)
where:
Base-Base interactions energy: -319.371
where: short stacking energy: -145.671
Base-Backbone interact. energy: -1.054
local terms energy: -159.764172
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -38.539
flat angles C4'-P-C4' energy: -30.054
flat angles P-C4'-P energy: -20.687
tors. eta vs tors. theta energy: -41.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -408.056780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.056780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.056780 (E_RNA)
where:
Base-Base interactions energy: -266.766
where: short stacking energy: -126.857
Base-Backbone interact. energy: -0.270
local terms energy: -141.020646
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -33.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -419.274219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.274219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.274219 (E_RNA)
where:
Base-Base interactions energy: -267.234
where: short stacking energy: -125.391
Base-Backbone interact. energy: -1.130
local terms energy: -150.910327
where:
bonds (distance) C4'-P energy: -29.408
bonds (distance) P-C4' energy: -32.654
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -33.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -349.834326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.834326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.834326 (E_RNA)
where:
Base-Base interactions energy: -216.912
where: short stacking energy: -105.235
Base-Backbone interact. energy: -0.353
local terms energy: -132.568620
where:
bonds (distance) C4'-P energy: -26.532
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -32.118
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -318.113589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.113589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.113589 (E_RNA)
where:
Base-Base interactions energy: -194.199
where: short stacking energy: -89.910
Base-Backbone interact. energy: -0.983
local terms energy: -122.931531
where:
bonds (distance) C4'-P energy: -26.358
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -23.752
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: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -330.015326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.015326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.015326 (E_RNA)
where:
Base-Base interactions energy: -203.568
where: short stacking energy: -102.512
Base-Backbone interact. energy: -1.318
local terms energy: -125.129222
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -21.496
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: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -238.368557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.368557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.368557 (E_RNA)
where:
Base-Base interactions energy: -138.814
where: short stacking energy: -77.623
Base-Backbone interact. energy: -0.958
local terms energy: -98.596917
where:
bonds (distance) C4'-P energy: -27.789
bonds (distance) P-C4' energy: -27.376
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -569.677159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.677159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.677159 (E_RNA)
where:
Base-Base interactions energy: -387.369
where: short stacking energy: -181.095
Base-Backbone interact. energy: 0.361
local terms energy: -182.669276
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -39.081
flat angles P-C4'-P energy: -28.730
tors. eta vs tors. theta energy: -54.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -510.988719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.988719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.988719 (E_RNA)
where:
Base-Base interactions energy: -325.488
where: short stacking energy: -166.271
Base-Backbone interact. energy: -0.039
local terms energy: -185.461462
where:
bonds (distance) C4'-P energy: -36.153
bonds (distance) P-C4' energy: -36.957
flat angles C4'-P-C4' energy: -41.323
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -44.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -532.572921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.572921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.572921 (E_RNA)
where:
Base-Base interactions energy: -358.425
where: short stacking energy: -165.701
Base-Backbone interact. energy: -0.361
local terms energy: -173.787089
where:
bonds (distance) C4'-P energy: -39.019
bonds (distance) P-C4' energy: -31.033
flat angles C4'-P-C4' energy: -39.292
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: -44.182
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: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -479.551664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.551664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.551664 (E_RNA)
where:
Base-Base interactions energy: -324.391
where: short stacking energy: -154.210
Base-Backbone interact. energy: -0.748
local terms energy: -154.412272
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -25.654
flat angles C4'-P-C4' energy: -33.472
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -37.566
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: 5, replica: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -408.499334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.499334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.499334 (E_RNA)
where:
Base-Base interactions energy: -272.149
where: short stacking energy: -118.590
Base-Backbone interact. energy: 2.265
local terms energy: -138.615707
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -29.394
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -22.278
tors. eta vs tors. theta energy: -27.685
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: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -439.371856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.371856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.371856 (E_RNA)
where:
Base-Base interactions energy: -273.184
where: short stacking energy: -133.559
Base-Backbone interact. energy: -0.449
local terms energy: -165.738931
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -31.203
flat angles P-C4'-P energy: -24.200
tors. eta vs tors. theta energy: -43.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -390.900271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.900271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.900271 (E_RNA)
where:
Base-Base interactions energy: -246.145
where: short stacking energy: -103.350
Base-Backbone interact. energy: -0.845
local terms energy: -143.910834
where:
bonds (distance) C4'-P energy: -30.670
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -40.119
flat angles P-C4'-P energy: -23.876
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -315.341514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.341514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.341514 (E_RNA)
where:
Base-Base interactions energy: -183.368
where: short stacking energy: -81.494
Base-Backbone interact. energy: -1.014
local terms energy: -130.959834
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -36.572
flat angles C4'-P-C4' energy: -29.529
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -12.914
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: 453
Temperature: 1.300000
Total energy: -307.320598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.320598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.320598 (E_RNA)
where:
Base-Base interactions energy: -195.397
where: short stacking energy: -93.829
Base-Backbone interact. energy: -1.212
local terms energy: -110.711984
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -31.013
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -17.747
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: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -216.859289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.859289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.859289 (E_RNA)
where:
Base-Base interactions energy: -116.066
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.223
local terms energy: -100.570198
where:
bonds (distance) C4'-P energy: -29.580
bonds (distance) P-C4' energy: -33.807
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -3.328
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: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -511.966837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.966837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.966837 (E_RNA)
where:
Base-Base interactions energy: -326.005
where: short stacking energy: -160.840
Base-Backbone interact. energy: -0.282
local terms energy: -185.679625
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -34.495
flat angles C4'-P-C4' energy: -37.614
flat angles P-C4'-P energy: -28.518
tors. eta vs tors. theta energy: -46.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -556.154919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.154919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.154919 (E_RNA)
where:
Base-Base interactions energy: -365.305
where: short stacking energy: -177.688
Base-Backbone interact. energy: -0.042
local terms energy: -190.807285
where:
bonds (distance) C4'-P energy: -32.188
bonds (distance) P-C4' energy: -41.103
flat angles C4'-P-C4' energy: -35.548
flat angles P-C4'-P energy: -28.273
tors. eta vs tors. theta energy: -53.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -469.878888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.878888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.878888 (E_RNA)
where:
Base-Base interactions energy: -316.855
where: short stacking energy: -141.029
Base-Backbone interact. energy: 0.767
local terms energy: -153.791033
where:
bonds (distance) C4'-P energy: -32.970
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -29.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -479.648615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.648615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.648615 (E_RNA)
where:
Base-Base interactions energy: -326.096
where: short stacking energy: -157.123
Base-Backbone interact. energy: -0.232
local terms energy: -153.320415
where:
bonds (distance) C4'-P energy: -27.723
bonds (distance) P-C4' energy: -27.817
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -27.592
tors. eta vs tors. theta energy: -41.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -457.802838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.802838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.802838 (E_RNA)
where:
Base-Base interactions energy: -291.329
where: short stacking energy: -141.704
Base-Backbone interact. energy: -0.213
local terms energy: -166.260662
where:
bonds (distance) C4'-P energy: -36.376
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -33.844
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: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -408.330809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.330809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.330809 (E_RNA)
where:
Base-Base interactions energy: -264.000
where: short stacking energy: -120.889
Base-Backbone interact. energy: -0.171
local terms energy: -144.160161
where:
bonds (distance) C4'-P energy: -29.773
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -32.650
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -25.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -406.880560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.880560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.880560 (E_RNA)
where:
Base-Base interactions energy: -256.925
where: short stacking energy: -118.445
Base-Backbone interact. energy: 1.651
local terms energy: -151.606579
where:
bonds (distance) C4'-P energy: -31.314
bonds (distance) P-C4' energy: -40.591
flat angles C4'-P-C4' energy: -37.052
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -27.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -300.853867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.853867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.853867 (E_RNA)
where:
Base-Base interactions energy: -180.092
where: short stacking energy: -90.444
Base-Backbone interact. energy: -1.143
local terms energy: -119.618989
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -294.598329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.598329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.598329 (E_RNA)
where:
Base-Base interactions energy: -182.445
where: short stacking energy: -94.132
Base-Backbone interact. energy: -0.497
local terms energy: -111.656511
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -16.607
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: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -224.202028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.202028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.202028 (E_RNA)
where:
Base-Base interactions energy: -123.161
where: short stacking energy: -78.097
Base-Backbone interact. energy: -0.491
local terms energy: -100.549628
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -552.848393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.848393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.848393 (E_RNA)
where:
Base-Base interactions energy: -364.062
where: short stacking energy: -174.378
Base-Backbone interact. energy: 0.322
local terms energy: -189.108590
where:
bonds (distance) C4'-P energy: -37.205
bonds (distance) P-C4' energy: -36.927
flat angles C4'-P-C4' energy: -38.559
flat angles P-C4'-P energy: -29.839
tors. eta vs tors. theta energy: -46.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -549.781453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.781453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.781453 (E_RNA)
where:
Base-Base interactions energy: -373.860
where: short stacking energy: -176.360
Base-Backbone interact. energy: -0.308
local terms energy: -175.613212
where:
bonds (distance) C4'-P energy: -33.416
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -37.504
flat angles P-C4'-P energy: -20.723
tors. eta vs tors. theta energy: -48.685
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: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -496.503462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.503462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.503462 (E_RNA)
where:
Base-Base interactions energy: -351.265
where: short stacking energy: -153.502
Base-Backbone interact. energy: 0.512
local terms energy: -145.750519
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -33.665
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -39.485
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: 455
Temperature: 1.050000
Total energy: -449.776601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.776601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.776601 (E_RNA)
where:
Base-Base interactions energy: -293.395
where: short stacking energy: -145.266
Base-Backbone interact. energy: -1.094
local terms energy: -155.287669
where:
bonds (distance) C4'-P energy: -28.333
bonds (distance) P-C4' energy: -34.396
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -23.073
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: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -480.042331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.042331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.042331 (E_RNA)
where:
Base-Base interactions energy: -322.616
where: short stacking energy: -159.521
Base-Backbone interact. energy: -0.754
local terms energy: -156.672324
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -40.830
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: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -427.917359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.917359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.917359 (E_RNA)
where:
Base-Base interactions energy: -274.332
where: short stacking energy: -132.298
Base-Backbone interact. energy: -1.093
local terms energy: -152.491700
where:
bonds (distance) C4'-P energy: -29.137
bonds (distance) P-C4' energy: -32.100
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -33.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -412.814181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.814181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.814181 (E_RNA)
where:
Base-Base interactions energy: -279.702
where: short stacking energy: -132.578
Base-Backbone interact. energy: -0.484
local terms energy: -132.627606
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -29.087
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -29.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -335.367626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.367626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.367626 (E_RNA)
where:
Base-Base interactions energy: -197.784
where: short stacking energy: -99.808
Base-Backbone interact. energy: -0.716
local terms energy: -136.867773
where:
bonds (distance) C4'-P energy: -31.078
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -28.117
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -16.785
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: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -330.424431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.424431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.424431 (E_RNA)
where:
Base-Base interactions energy: -208.559
where: short stacking energy: -100.362
Base-Backbone interact. energy: -0.079
local terms energy: -121.786265
where:
bonds (distance) C4'-P energy: -29.067
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -30.243
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -20.605
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: 455
Temperature: 1.350000
Total energy: -223.348057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.348057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.348057 (E_RNA)
where:
Base-Base interactions energy: -114.781
where: short stacking energy: -70.622
Base-Backbone interact. energy: 0.048
local terms energy: -108.614649
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -36.521
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -537.013845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.013845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.013845 (E_RNA)
where:
Base-Base interactions energy: -349.952
where: short stacking energy: -170.600
Base-Backbone interact. energy: -0.437
local terms energy: -186.624711
where:
bonds (distance) C4'-P energy: -30.760
bonds (distance) P-C4' energy: -38.967
flat angles C4'-P-C4' energy: -41.124
flat angles P-C4'-P energy: -32.716
tors. eta vs tors. theta energy: -43.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -550.936514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.936514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.936514 (E_RNA)
where:
Base-Base interactions energy: -363.127
where: short stacking energy: -174.023
Base-Backbone interact. energy: -0.054
local terms energy: -187.755727
where:
bonds (distance) C4'-P energy: -36.415
bonds (distance) P-C4' energy: -36.141
flat angles C4'-P-C4' energy: -34.861
flat angles P-C4'-P energy: -27.668
tors. eta vs tors. theta energy: -52.671
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: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -462.982901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.982901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.982901 (E_RNA)
where:
Base-Base interactions energy: -306.521
where: short stacking energy: -140.787
Base-Backbone interact. energy: -0.842
local terms energy: -155.619471
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -30.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -486.638957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.638957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.638957 (E_RNA)
where:
Base-Base interactions energy: -315.721
where: short stacking energy: -170.409
Base-Backbone interact. energy: -0.255
local terms energy: -170.663008
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -40.672
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: -46.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -491.848653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.848653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.848653 (E_RNA)
where:
Base-Base interactions energy: -323.789
where: short stacking energy: -159.696
Base-Backbone interact. energy: -0.231
local terms energy: -167.828095
where:
bonds (distance) C4'-P energy: -25.799
bonds (distance) P-C4' energy: -36.434
flat angles C4'-P-C4' energy: -34.709
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -46.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -413.200882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.200882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.200882 (E_RNA)
where:
Base-Base interactions energy: -271.093
where: short stacking energy: -131.290
Base-Backbone interact. energy: -1.096
local terms energy: -141.011912
where:
bonds (distance) C4'-P energy: -33.047
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -32.069
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -31.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -454.382471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.382471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.382471 (E_RNA)
where:
Base-Base interactions energy: -293.484
where: short stacking energy: -139.276
Base-Backbone interact. energy: -0.473
local terms energy: -160.425636
where:
bonds (distance) C4'-P energy: -28.946
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -41.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -321.924119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.924119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.924119 (E_RNA)
where:
Base-Base interactions energy: -187.860
where: short stacking energy: -81.142
Base-Backbone interact. energy: -0.393
local terms energy: -133.671001
where:
bonds (distance) C4'-P energy: -30.041
bonds (distance) P-C4' energy: -30.785
flat angles C4'-P-C4' energy: -33.608
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -325.522991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.522991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.522991 (E_RNA)
where:
Base-Base interactions energy: -206.918
where: short stacking energy: -88.052
Base-Backbone interact. energy: -0.237
local terms energy: -118.367419
where:
bonds (distance) C4'-P energy: -24.947
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -239.255027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.255027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.255027 (E_RNA)
where:
Base-Base interactions energy: -116.648
where: short stacking energy: -70.496
Base-Backbone interact. energy: -0.763
local terms energy: -121.843241
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -33.779
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -20.831
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: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -549.299968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.299968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.299968 (E_RNA)
where:
Base-Base interactions energy: -370.016
where: short stacking energy: -177.398
Base-Backbone interact. energy: -0.790
local terms energy: -178.493822
where:
bonds (distance) C4'-P energy: -34.159
bonds (distance) P-C4' energy: -34.448
flat angles C4'-P-C4' energy: -33.562
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -46.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -556.211843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.211843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.211843 (E_RNA)
where:
Base-Base interactions energy: -374.941
where: short stacking energy: -182.902
Base-Backbone interact. energy: -0.069
local terms energy: -181.201159
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -35.083
flat angles P-C4'-P energy: -26.106
tors. eta vs tors. theta energy: -53.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -466.060477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.060477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.060477 (E_RNA)
where:
Base-Base interactions energy: -304.906
where: short stacking energy: -141.622
Base-Backbone interact. energy: -0.735
local terms energy: -160.419368
where:
bonds (distance) C4'-P energy: -30.566
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -37.358
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -31.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -501.841392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.841392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.841392 (E_RNA)
where:
Base-Base interactions energy: -329.090
where: short stacking energy: -164.479
Base-Backbone interact. energy: -0.006
local terms energy: -172.745586
where:
bonds (distance) C4'-P energy: -30.593
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -34.144
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: -47.733
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: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -481.215183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.215183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.215183 (E_RNA)
where:
Base-Base interactions energy: -307.346
where: short stacking energy: -153.698
Base-Backbone interact. energy: -0.894
local terms energy: -172.974783
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -44.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -415.618329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.618329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.618329 (E_RNA)
where:
Base-Base interactions energy: -269.448
where: short stacking energy: -130.581
Base-Backbone interact. energy: -0.657
local terms energy: -145.513050
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: -35.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -369.843903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.843903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.843903 (E_RNA)
where:
Base-Base interactions energy: -240.143
where: short stacking energy: -121.487
Base-Backbone interact. energy: -0.572
local terms energy: -129.128740
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -28.274
flat angles C4'-P-C4' energy: -30.910
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -25.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -342.382261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.382261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.382261 (E_RNA)
where:
Base-Base interactions energy: -191.695
where: short stacking energy: -87.141
Base-Backbone interact. energy: 0.183
local terms energy: -150.870648
where:
bonds (distance) C4'-P energy: -36.276
bonds (distance) P-C4' energy: -34.852
flat angles C4'-P-C4' energy: -34.412
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -22.285
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: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -316.572557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.572557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.572557 (E_RNA)
where:
Base-Base interactions energy: -199.430
where: short stacking energy: -105.735
Base-Backbone interact. energy: -0.358
local terms energy: -116.785121
where:
bonds (distance) C4'-P energy: -28.415
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -216.989590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.989590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.989590 (E_RNA)
where:
Base-Base interactions energy: -114.755
where: short stacking energy: -65.478
Base-Backbone interact. energy: 0.623
local terms energy: -102.858458
where:
bonds (distance) C4'-P energy: -29.687
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -2.801
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: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -573.265221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.265221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.265221 (E_RNA)
where:
Base-Base interactions energy: -380.897
where: short stacking energy: -193.268
Base-Backbone interact. energy: -0.032
local terms energy: -192.335835
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -36.203
flat angles C4'-P-C4' energy: -44.224
flat angles P-C4'-P energy: -25.840
tors. eta vs tors. theta energy: -54.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -512.032666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.032666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.032666 (E_RNA)
where:
Base-Base interactions energy: -332.306
where: short stacking energy: -151.992
Base-Backbone interact. energy: -0.497
local terms energy: -179.229845
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -39.196
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -40.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -490.898112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.898112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.898112 (E_RNA)
where:
Base-Base interactions energy: -330.670
where: short stacking energy: -166.236
Base-Backbone interact. energy: -0.101
local terms energy: -160.127792
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -28.797
tors. eta vs tors. theta energy: -44.165
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: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -453.141551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.141551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.141551 (E_RNA)
where:
Base-Base interactions energy: -296.116
where: short stacking energy: -133.328
Base-Backbone interact. energy: 1.983
local terms energy: -159.007723
where:
bonds (distance) C4'-P energy: -34.753
bonds (distance) P-C4' energy: -37.527
flat angles C4'-P-C4' energy: -33.587
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -30.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -469.505202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.505202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.505202 (E_RNA)
where:
Base-Base interactions energy: -291.627
where: short stacking energy: -157.834
Base-Backbone interact. energy: -0.256
local terms energy: -177.622529
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -38.907
flat angles C4'-P-C4' energy: -36.889
flat angles P-C4'-P energy: -22.706
tors. eta vs tors. theta energy: -48.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -411.883370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.883370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.883370 (E_RNA)
where:
Base-Base interactions energy: -259.739
where: short stacking energy: -136.855
Base-Backbone interact. energy: 0.619
local terms energy: -152.762464
where:
bonds (distance) C4'-P energy: -25.824
bonds (distance) P-C4' energy: -35.044
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -36.082
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: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -394.060321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.060321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.060321 (E_RNA)
where:
Base-Base interactions energy: -252.627
where: short stacking energy: -132.280
Base-Backbone interact. energy: 0.588
local terms energy: -142.021618
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -33.181
flat angles C4'-P-C4' energy: -25.375
flat angles P-C4'-P energy: -24.455
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: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -322.950755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.950755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.950755 (E_RNA)
where:
Base-Base interactions energy: -195.450
where: short stacking energy: -104.038
Base-Backbone interact. energy: 1.738
local terms energy: -129.238032
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -22.432
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: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -306.701426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.701426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.701426 (E_RNA)
where:
Base-Base interactions energy: -193.812
where: short stacking energy: -95.500
Base-Backbone interact. energy: -0.092
local terms energy: -112.796577
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -15.066
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: 458
Temperature: 1.350000
Total energy: -213.953291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.953291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.953291 (E_RNA)
where:
Base-Base interactions energy: -102.222
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.375
local terms energy: -111.355415
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -34.447
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -8.995
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: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -570.693408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.693408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.693408 (E_RNA)
where:
Base-Base interactions energy: -383.490
where: short stacking energy: -192.390
Base-Backbone interact. energy: -0.111
local terms energy: -187.092591
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -33.650
flat angles C4'-P-C4' energy: -39.812
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -57.764
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: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -518.486198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.486198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.486198 (E_RNA)
where:
Base-Base interactions energy: -330.351
where: short stacking energy: -175.790
Base-Backbone interact. energy: -0.633
local terms energy: -187.502369
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -36.483
flat angles C4'-P-C4' energy: -39.943
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -52.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -500.891822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.891822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.891822 (E_RNA)
where:
Base-Base interactions energy: -328.364
where: short stacking energy: -155.500
Base-Backbone interact. energy: -0.421
local terms energy: -172.107077
where:
bonds (distance) C4'-P energy: -37.702
bonds (distance) P-C4' energy: -34.183
flat angles C4'-P-C4' energy: -41.348
flat angles P-C4'-P energy: -22.219
tors. eta vs tors. theta energy: -36.655
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: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -463.932011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.932011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.932011 (E_RNA)
where:
Base-Base interactions energy: -299.629
where: short stacking energy: -158.370
Base-Backbone interact. energy: -0.045
local terms energy: -164.258522
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -34.203
flat angles C4'-P-C4' energy: -34.018
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -46.326
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: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -435.864607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.864607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.864607 (E_RNA)
where:
Base-Base interactions energy: -283.803
where: short stacking energy: -119.170
Base-Backbone interact. energy: -0.422
local terms energy: -151.639389
where:
bonds (distance) C4'-P energy: -33.449
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -28.823
flat angles P-C4'-P energy: -29.507
tors. eta vs tors. theta energy: -24.339
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: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -379.381382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.381382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.381382 (E_RNA)
where:
Base-Base interactions energy: -253.549
where: short stacking energy: -118.044
Base-Backbone interact. energy: -0.453
local terms energy: -125.379294
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -32.622
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -22.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -388.454918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.454918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.454918 (E_RNA)
where:
Base-Base interactions energy: -245.158
where: short stacking energy: -124.491
Base-Backbone interact. energy: 0.026
local terms energy: -143.322698
where:
bonds (distance) C4'-P energy: -26.586
bonds (distance) P-C4' energy: -34.636
flat angles C4'-P-C4' energy: -34.532
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -28.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -331.676503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.676503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.676503 (E_RNA)
where:
Base-Base interactions energy: -207.979
where: short stacking energy: -93.131
Base-Backbone interact. energy: -0.554
local terms energy: -123.144214
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -31.959
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -14.114
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: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -311.989743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.989743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.989743 (E_RNA)
where:
Base-Base interactions energy: -199.235
where: short stacking energy: -93.351
Base-Backbone interact. energy: -0.347
local terms energy: -112.407749
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -31.105
flat angles C4'-P-C4' energy: -28.423
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -228.124105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.124105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.124105 (E_RNA)
where:
Base-Base interactions energy: -119.888
where: short stacking energy: -61.299
Base-Backbone interact. energy: 0.793
local terms energy: -109.029317
where:
bonds (distance) C4'-P energy: -25.861
bonds (distance) P-C4' energy: -33.825
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -18.367
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: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -576.227364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.227364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.227364 (E_RNA)
where:
Base-Base interactions energy: -382.859
where: short stacking energy: -192.798
Base-Backbone interact. energy: -0.149
local terms energy: -193.219254
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -35.051
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -32.699
tors. eta vs tors. theta energy: -54.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -540.782655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.782655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.782655 (E_RNA)
where:
Base-Base interactions energy: -361.036
where: short stacking energy: -188.830
Base-Backbone interact. energy: -0.104
local terms energy: -179.642653
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -37.620
flat angles C4'-P-C4' energy: -34.623
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -51.166
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: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -502.420637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.420637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.420637 (E_RNA)
where:
Base-Base interactions energy: -322.162
where: short stacking energy: -156.572
Base-Backbone interact. energy: -0.354
local terms energy: -179.904297
where:
bonds (distance) C4'-P energy: -37.827
bonds (distance) P-C4' energy: -31.017
flat angles C4'-P-C4' energy: -42.563
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -40.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -462.275094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.275094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.275094 (E_RNA)
where:
Base-Base interactions energy: -306.183
where: short stacking energy: -165.390
Base-Backbone interact. energy: -0.793
local terms energy: -155.298997
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -36.477
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -41.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -439.692720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.692720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.692720 (E_RNA)
where:
Base-Base interactions energy: -293.953
where: short stacking energy: -128.692
Base-Backbone interact. energy: -1.062
local terms energy: -144.677726
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -34.974
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -25.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -381.780554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.780554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.780554 (E_RNA)
where:
Base-Base interactions energy: -235.913
where: short stacking energy: -120.086
Base-Backbone interact. energy: 0.461
local terms energy: -146.328374
where:
bonds (distance) C4'-P energy: -32.874
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -33.011
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -29.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -370.262742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.262742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.262742 (E_RNA)
where:
Base-Base interactions energy: -229.308
where: short stacking energy: -128.885
Base-Backbone interact. energy: -0.515
local terms energy: -140.440058
where:
bonds (distance) C4'-P energy: -37.594
bonds (distance) P-C4' energy: -26.508
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -30.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -316.956289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.956289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.956289 (E_RNA)
where:
Base-Base interactions energy: -184.025
where: short stacking energy: -95.290
Base-Backbone interact. energy: -0.485
local terms energy: -132.446290
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -28.436
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -332.996665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.996665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.996665 (E_RNA)
where:
Base-Base interactions energy: -215.957
where: short stacking energy: -96.063
Base-Backbone interact. energy: -1.658
local terms energy: -115.380779
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -20.254
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: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -218.568077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.568077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.568077 (E_RNA)
where:
Base-Base interactions energy: -102.156
where: short stacking energy: -55.798
Base-Backbone interact. energy: -0.493
local terms energy: -115.919292
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -33.646
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -573.824606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.824606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.824606 (E_RNA)
where:
Base-Base interactions energy: -378.130
where: short stacking energy: -186.024
Base-Backbone interact. energy: 0.020
local terms energy: -195.714625
where:
bonds (distance) C4'-P energy: -36.069
bonds (distance) P-C4' energy: -39.052
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -56.763
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: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -529.916360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.916360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.916360 (E_RNA)
where:
Base-Base interactions energy: -353.438
where: short stacking energy: -158.546
Base-Backbone interact. energy: -0.005
local terms energy: -176.473585
where:
bonds (distance) C4'-P energy: -33.477
bonds (distance) P-C4' energy: -33.241
flat angles C4'-P-C4' energy: -39.640
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -46.600
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: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -502.526232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.526232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.526232 (E_RNA)
where:
Base-Base interactions energy: -340.298
where: short stacking energy: -172.638
Base-Backbone interact. energy: -0.049
local terms energy: -162.179223
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -30.851
flat angles C4'-P-C4' energy: -35.059
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -47.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -449.904199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.904199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.904199 (E_RNA)
where:
Base-Base interactions energy: -305.019
where: short stacking energy: -124.672
Base-Backbone interact. energy: -1.232
local terms energy: -143.653247
where:
bonds (distance) C4'-P energy: -27.976
bonds (distance) P-C4' energy: -28.878
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -29.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -444.935396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.935396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.935396 (E_RNA)
where:
Base-Base interactions energy: -286.124
where: short stacking energy: -143.621
Base-Backbone interact. energy: -0.114
local terms energy: -158.697753
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -35.250
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -39.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -424.210867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.210867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.210867 (E_RNA)
where:
Base-Base interactions energy: -271.250
where: short stacking energy: -128.933
Base-Backbone interact. energy: 1.019
local terms energy: -153.979996
where:
bonds (distance) C4'-P energy: -30.204
bonds (distance) P-C4' energy: -35.086
flat angles C4'-P-C4' energy: -35.134
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -34.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -371.471733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.471733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.471733 (E_RNA)
where:
Base-Base interactions energy: -241.810
where: short stacking energy: -108.862
Base-Backbone interact. energy: -0.576
local terms energy: -129.085535
where:
bonds (distance) C4'-P energy: -30.879
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -29.129
flat angles P-C4'-P energy: -18.775
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -347.394311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.394311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.394311 (E_RNA)
where:
Base-Base interactions energy: -204.612
where: short stacking energy: -94.026
Base-Backbone interact. energy: -0.407
local terms energy: -142.375752
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -30.657
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -309.652466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.652466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.652466 (E_RNA)
where:
Base-Base interactions energy: -195.240
where: short stacking energy: -93.943
Base-Backbone interact. energy: 0.305
local terms energy: -114.717137
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -34.007
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -18.232
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: 461
Temperature: 1.350000
Total energy: -231.825648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.825648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.825648 (E_RNA)
where:
Base-Base interactions energy: -137.756
where: short stacking energy: -77.963
Base-Backbone interact. energy: -0.286
local terms energy: -93.783820
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -24.997
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -8.900
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: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -565.389187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.389187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.389187 (E_RNA)
where:
Base-Base interactions energy: -383.327
where: short stacking energy: -182.395
Base-Backbone interact. energy: -0.008
local terms energy: -182.054515
where:
bonds (distance) C4'-P energy: -35.976
bonds (distance) P-C4' energy: -26.853
flat angles C4'-P-C4' energy: -40.523
flat angles P-C4'-P energy: -28.805
tors. eta vs tors. theta energy: -49.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -557.589340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.589340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.589340 (E_RNA)
where:
Base-Base interactions energy: -369.102
where: short stacking energy: -171.947
Base-Backbone interact. energy: -0.009
local terms energy: -188.477673
where:
bonds (distance) C4'-P energy: -35.555
bonds (distance) P-C4' energy: -34.525
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -56.743
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: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -485.338419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.338419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.338419 (E_RNA)
where:
Base-Base interactions energy: -321.561
where: short stacking energy: -154.562
Base-Backbone interact. energy: -0.760
local terms energy: -163.017518
where:
bonds (distance) C4'-P energy: -33.447
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -35.650
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -45.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -486.263302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.263302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.263302 (E_RNA)
where:
Base-Base interactions energy: -321.933
where: short stacking energy: -163.904
Base-Backbone interact. energy: -0.162
local terms energy: -164.167881
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -30.824
tors. eta vs tors. theta energy: -44.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -454.972806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.972806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.972806 (E_RNA)
where:
Base-Base interactions energy: -303.026
where: short stacking energy: -136.348
Base-Backbone interact. energy: 2.097
local terms energy: -154.043358
where:
bonds (distance) C4'-P energy: -30.094
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -34.546
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -37.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -404.926575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.926575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.926575 (E_RNA)
where:
Base-Base interactions energy: -256.224
where: short stacking energy: -121.006
Base-Backbone interact. energy: -0.259
local terms energy: -148.442821
where:
bonds (distance) C4'-P energy: -31.457
bonds (distance) P-C4' energy: -35.004
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -30.885
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: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -398.630147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.630147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.630147 (E_RNA)
where:
Base-Base interactions energy: -256.825
where: short stacking energy: -123.732
Base-Backbone interact. energy: -0.446
local terms energy: -141.359441
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -29.286
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -29.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -350.613814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.613814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.613814 (E_RNA)
where:
Base-Base interactions energy: -225.742
where: short stacking energy: -101.398
Base-Backbone interact. energy: 2.502
local terms energy: -127.374047
where:
bonds (distance) C4'-P energy: -26.428
bonds (distance) P-C4' energy: -30.262
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -22.685
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: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -317.088384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.088384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.088384 (E_RNA)
where:
Base-Base interactions energy: -192.909
where: short stacking energy: -84.877
Base-Backbone interact. energy: -0.436
local terms energy: -123.743535
where:
bonds (distance) C4'-P energy: -27.423
bonds (distance) P-C4' energy: -33.156
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -13.687
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: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -233.101634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.101634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101634 (E_RNA)
where:
Base-Base interactions energy: -116.704
where: short stacking energy: -74.808
Base-Backbone interact. energy: -0.388
local terms energy: -116.009044
where:
bonds (distance) C4'-P energy: -30.230
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -34.715
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -6.155
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: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -555.106048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.106048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.106048 (E_RNA)
where:
Base-Base interactions energy: -370.738
where: short stacking energy: -169.527
Base-Backbone interact. energy: -0.195
local terms energy: -184.173488
where:
bonds (distance) C4'-P energy: -38.250
bonds (distance) P-C4' energy: -39.908
flat angles C4'-P-C4' energy: -35.116
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -44.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -550.293547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.293547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.293547 (E_RNA)
where:
Base-Base interactions energy: -359.632
where: short stacking energy: -182.769
Base-Backbone interact. energy: -0.110
local terms energy: -190.551567
where:
bonds (distance) C4'-P energy: -33.398
bonds (distance) P-C4' energy: -34.228
flat angles C4'-P-C4' energy: -42.623
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: -52.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -488.151757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.151757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.151757 (E_RNA)
where:
Base-Base interactions energy: -318.924
where: short stacking energy: -146.638
Base-Backbone interact. energy: -0.477
local terms energy: -168.751257
where:
bonds (distance) C4'-P energy: -34.543
bonds (distance) P-C4' energy: -40.961
flat angles C4'-P-C4' energy: -34.191
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -35.344
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: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -480.945876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.945876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.945876 (E_RNA)
where:
Base-Base interactions energy: -318.928
where: short stacking energy: -157.754
Base-Backbone interact. energy: -0.392
local terms energy: -161.625768
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -32.073
flat angles C4'-P-C4' energy: -39.824
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -45.103
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: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -438.954080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.954080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.954080 (E_RNA)
where:
Base-Base interactions energy: -278.291
where: short stacking energy: -141.460
Base-Backbone interact. energy: -0.548
local terms energy: -160.115411
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -35.126
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -41.065
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: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -423.679316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.679316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.679316 (E_RNA)
where:
Base-Base interactions energy: -277.793
where: short stacking energy: -143.636
Base-Backbone interact. energy: 1.339
local terms energy: -147.225098
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -30.525
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -30.273
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: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -420.159830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.159830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.159830 (E_RNA)
where:
Base-Base interactions energy: -267.928
where: short stacking energy: -124.911
Base-Backbone interact. energy: -1.466
local terms energy: -150.765522
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -31.763
flat angles C4'-P-C4' energy: -36.860
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -29.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -356.235020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.235020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.235020 (E_RNA)
where:
Base-Base interactions energy: -213.669
where: short stacking energy: -107.571
Base-Backbone interact. energy: -0.513
local terms energy: -142.052987
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -32.154
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -21.174
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: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -304.305736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.305736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.305736 (E_RNA)
where:
Base-Base interactions energy: -198.835
where: short stacking energy: -102.654
Base-Backbone interact. energy: 0.811
local terms energy: -106.282466
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -24.793
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -233.013891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.013891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.013891 (E_RNA)
where:
Base-Base interactions energy: -122.308
where: short stacking energy: -63.544
Base-Backbone interact. energy: -1.013
local terms energy: -109.692310
where:
bonds (distance) C4'-P energy: -27.246
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -28.636
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: -0.448
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: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -562.536158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.536158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.536158 (E_RNA)
where:
Base-Base interactions energy: -377.063
where: short stacking energy: -185.607
Base-Backbone interact. energy: -0.219
local terms energy: -185.254402
where:
bonds (distance) C4'-P energy: -35.098
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -35.574
flat angles P-C4'-P energy: -25.194
tors. eta vs tors. theta energy: -53.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -525.067758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.067758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.067758 (E_RNA)
where:
Base-Base interactions energy: -361.683
where: short stacking energy: -179.144
Base-Backbone interact. energy: 1.142
local terms energy: -164.525943
where:
bonds (distance) C4'-P energy: -28.942
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -45.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -490.623848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.623848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.623848 (E_RNA)
where:
Base-Base interactions energy: -320.026
where: short stacking energy: -149.925
Base-Backbone interact. energy: -0.738
local terms energy: -169.859710
where:
bonds (distance) C4'-P energy: -29.674
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -39.158
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: -43.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -481.646792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.646792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.646792 (E_RNA)
where:
Base-Base interactions energy: -300.908
where: short stacking energy: -154.023
Base-Backbone interact. energy: -0.196
local terms energy: -180.542577
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -32.356
flat angles C4'-P-C4' energy: -38.510
flat angles P-C4'-P energy: -29.321
tors. eta vs tors. theta energy: -43.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -432.166044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.166044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.166044 (E_RNA)
where:
Base-Base interactions energy: -275.578
where: short stacking energy: -136.678
Base-Backbone interact. energy: -0.846
local terms energy: -155.742909
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -34.816
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -33.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -438.901360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.901360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.901360 (E_RNA)
where:
Base-Base interactions energy: -285.061
where: short stacking energy: -151.734
Base-Backbone interact. energy: 1.311
local terms energy: -155.151456
where:
bonds (distance) C4'-P energy: -28.546
bonds (distance) P-C4' energy: -30.635
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -42.509
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: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -369.264629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.264629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.264629 (E_RNA)
where:
Base-Base interactions energy: -238.605
where: short stacking energy: -115.228
Base-Backbone interact. energy: 3.608
local terms energy: -134.267770
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -36.263
flat angles C4'-P-C4' energy: -30.001
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -321.931292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.931292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.931292 (E_RNA)
where:
Base-Base interactions energy: -196.406
where: short stacking energy: -89.679
Base-Backbone interact. energy: 0.202
local terms energy: -125.727500
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -26.893
flat angles C4'-P-C4' energy: -24.722
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -14.297
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: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -298.210216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.210216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.210216 (E_RNA)
where:
Base-Base interactions energy: -179.959
where: short stacking energy: -88.667
Base-Backbone interact. energy: 2.183
local terms energy: -120.434162
where:
bonds (distance) C4'-P energy: -32.071
bonds (distance) P-C4' energy: -35.196
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -235.236547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.236547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.236547 (E_RNA)
where:
Base-Base interactions energy: -134.940
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.783
local terms energy: -99.513182
where:
bonds (distance) C4'-P energy: -30.019
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -6.072
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: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -549.226901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.226901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.226901 (E_RNA)
where:
Base-Base interactions energy: -355.668
where: short stacking energy: -166.627
Base-Backbone interact. energy: -0.343
local terms energy: -193.215612
where:
bonds (distance) C4'-P energy: -37.516
bonds (distance) P-C4' energy: -40.499
flat angles C4'-P-C4' energy: -40.484
flat angles P-C4'-P energy: -28.058
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: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -519.901812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.901812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.901812 (E_RNA)
where:
Base-Base interactions energy: -350.814
where: short stacking energy: -158.863
Base-Backbone interact. energy: -0.671
local terms energy: -168.416679
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -30.165
flat angles C4'-P-C4' energy: -37.671
flat angles P-C4'-P energy: -21.436
tors. eta vs tors. theta energy: -42.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -456.953140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.953140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.953140 (E_RNA)
where:
Base-Base interactions energy: -289.710
where: short stacking energy: -128.721
Base-Backbone interact. energy: -0.579
local terms energy: -166.663221
where:
bonds (distance) C4'-P energy: -37.223
bonds (distance) P-C4' energy: -28.976
flat angles C4'-P-C4' energy: -37.353
flat angles P-C4'-P energy: -25.850
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: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -476.945353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.945353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.945353 (E_RNA)
where:
Base-Base interactions energy: -313.701
where: short stacking energy: -163.356
Base-Backbone interact. energy: -0.166
local terms energy: -163.078080
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -34.393
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -44.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -440.813399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.813399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.813399 (E_RNA)
where:
Base-Base interactions energy: -279.098
where: short stacking energy: -148.717
Base-Backbone interact. energy: -0.312
local terms energy: -161.403103
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -35.240
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -40.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -432.987552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.987552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.987552 (E_RNA)
where:
Base-Base interactions energy: -275.922
where: short stacking energy: -137.159
Base-Backbone interact. energy: 2.028
local terms energy: -159.093439
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -32.692
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -28.247
tors. eta vs tors. theta energy: -29.854
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: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -365.410120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.410120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.410120 (E_RNA)
where:
Base-Base interactions energy: -223.351
where: short stacking energy: -104.058
Base-Backbone interact. energy: -0.551
local terms energy: -141.508005
where:
bonds (distance) C4'-P energy: -33.244
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -21.563
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: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -327.939060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.939060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.939060 (E_RNA)
where:
Base-Base interactions energy: -205.688
where: short stacking energy: -107.997
Base-Backbone interact. energy: -0.910
local terms energy: -121.341140
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -323.896104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.896104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.896104 (E_RNA)
where:
Base-Base interactions energy: -206.221
where: short stacking energy: -84.156
Base-Backbone interact. energy: -0.591
local terms energy: -117.083659
where:
bonds (distance) C4'-P energy: -28.824
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -27.997
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -212.551973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.551973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.551973 (E_RNA)
where:
Base-Base interactions energy: -105.485
where: short stacking energy: -46.970
Base-Backbone interact. energy: -0.946
local terms energy: -106.120877
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: 3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -550.000358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.000358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.000358 (E_RNA)
where:
Base-Base interactions energy: -363.218
where: short stacking energy: -168.739
Base-Backbone interact. energy: -0.144
local terms energy: -186.638087
where:
bonds (distance) C4'-P energy: -37.067
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -40.763
flat angles P-C4'-P energy: -30.375
tors. eta vs tors. theta energy: -44.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -536.486897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.486897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.486897 (E_RNA)
where:
Base-Base interactions energy: -345.239
where: short stacking energy: -161.017
Base-Backbone interact. energy: -0.135
local terms energy: -191.112927
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -37.482
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -33.836
tors. eta vs tors. theta energy: -46.092
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: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -487.256828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.256828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.256828 (E_RNA)
where:
Base-Base interactions energy: -313.354
where: short stacking energy: -150.719
Base-Backbone interact. energy: 0.986
local terms energy: -174.888156
where:
bonds (distance) C4'-P energy: -32.484
bonds (distance) P-C4' energy: -34.946
flat angles C4'-P-C4' energy: -41.680
flat angles P-C4'-P energy: -28.191
tors. eta vs tors. theta energy: -37.588
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: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -464.041669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.041669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.041669 (E_RNA)
where:
Base-Base interactions energy: -313.638
where: short stacking energy: -138.755
Base-Backbone interact. energy: -0.607
local terms energy: -149.796686
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -33.286
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -38.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -408.514137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.514137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.514137 (E_RNA)
where:
Base-Base interactions energy: -253.132
where: short stacking energy: -129.569
Base-Backbone interact. energy: 0.364
local terms energy: -155.746625
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -31.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -431.538111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.538111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.538111 (E_RNA)
where:
Base-Base interactions energy: -285.463
where: short stacking energy: -140.680
Base-Backbone interact. energy: 0.666
local terms energy: -146.740652
where:
bonds (distance) C4'-P energy: -30.204
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -23.167
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: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -362.916500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.916500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.916500 (E_RNA)
where:
Base-Base interactions energy: -223.512
where: short stacking energy: -110.609
Base-Backbone interact. energy: -0.218
local terms energy: -139.186429
where:
bonds (distance) C4'-P energy: -37.118
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -387.298875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.298875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.298875 (E_RNA)
where:
Base-Base interactions energy: -244.771
where: short stacking energy: -117.974
Base-Backbone interact. energy: 0.409
local terms energy: -142.937276
where:
bonds (distance) C4'-P energy: -28.605
bonds (distance) P-C4' energy: -36.671
flat angles C4'-P-C4' energy: -31.098
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -313.687918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.687918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.687918 (E_RNA)
where:
Base-Base interactions energy: -196.067
where: short stacking energy: -94.652
Base-Backbone interact. energy: 3.876
local terms energy: -121.497714
where:
bonds (distance) C4'-P energy: -26.243
bonds (distance) P-C4' energy: -30.355
flat angles C4'-P-C4' energy: -26.123
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -233.907910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.907910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.907910 (E_RNA)
where:
Base-Base interactions energy: -129.403
where: short stacking energy: -74.659
Base-Backbone interact. energy: -0.244
local terms energy: -104.261218
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -558.232197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.232197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.232197 (E_RNA)
where:
Base-Base interactions energy: -374.072
where: short stacking energy: -184.350
Base-Backbone interact. energy: -0.130
local terms energy: -184.030736
where:
bonds (distance) C4'-P energy: -31.740
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -29.263
tors. eta vs tors. theta energy: -49.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -534.968333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.968333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.968333 (E_RNA)
where:
Base-Base interactions energy: -354.371
where: short stacking energy: -180.394
Base-Backbone interact. energy: -0.081
local terms energy: -180.516869
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -35.254
flat angles C4'-P-C4' energy: -38.269
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -48.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -475.476031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.476031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.476031 (E_RNA)
where:
Base-Base interactions energy: -309.357
where: short stacking energy: -140.271
Base-Backbone interact. energy: -0.394
local terms energy: -165.724854
where:
bonds (distance) C4'-P energy: -28.836
bonds (distance) P-C4' energy: -37.616
flat angles C4'-P-C4' energy: -37.760
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -37.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -430.172437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.172437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.172437 (E_RNA)
where:
Base-Base interactions energy: -282.179
where: short stacking energy: -146.002
Base-Backbone interact. energy: 0.238
local terms energy: -148.232093
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -37.192
flat angles P-C4'-P energy: -17.219
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: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -438.549119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.549119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.549119 (E_RNA)
where:
Base-Base interactions energy: -279.876
where: short stacking energy: -120.266
Base-Backbone interact. energy: -1.312
local terms energy: -157.360687
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -27.083
tors. eta vs tors. theta energy: -31.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -364.407963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.407963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.407963 (E_RNA)
where:
Base-Base interactions energy: -222.894
where: short stacking energy: -104.285
Base-Backbone interact. energy: -0.389
local terms energy: -141.124754
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -33.852
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -32.862
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: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -429.185593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.185593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.185593 (E_RNA)
where:
Base-Base interactions energy: -274.210
where: short stacking energy: -140.725
Base-Backbone interact. energy: -0.184
local terms energy: -154.791732
where:
bonds (distance) C4'-P energy: -33.749
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -366.155689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.155689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.155689 (E_RNA)
where:
Base-Base interactions energy: -225.178
where: short stacking energy: -111.586
Base-Backbone interact. energy: -0.185
local terms energy: -140.792459
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -34.111
flat angles C4'-P-C4' energy: -33.398
flat angles P-C4'-P energy: -22.315
tors. eta vs tors. theta energy: -21.775
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: 467
Temperature: 1.300000
Total energy: -274.309402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.309402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.309402 (E_RNA)
where:
Base-Base interactions energy: -161.634
where: short stacking energy: -72.694
Base-Backbone interact. energy: -0.119
local terms energy: -112.555985
where:
bonds (distance) C4'-P energy: -29.931
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -248.932346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.932346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.932346 (E_RNA)
where:
Base-Base interactions energy: -153.319
where: short stacking energy: -76.523
Base-Backbone interact. energy: -0.060
local terms energy: -95.552941
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -24.314
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -544.685920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.685920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.685920 (E_RNA)
where:
Base-Base interactions energy: -369.906
where: short stacking energy: -170.522
Base-Backbone interact. energy: 0.890
local terms energy: -175.670332
where:
bonds (distance) C4'-P energy: -35.898
bonds (distance) P-C4' energy: -35.712
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -511.706294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.706294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.706294 (E_RNA)
where:
Base-Base interactions energy: -356.682
where: short stacking energy: -159.187
Base-Backbone interact. energy: -0.557
local terms energy: -154.467190
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -36.618
flat angles P-C4'-P energy: -25.729
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: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -482.920280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.920280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.920280 (E_RNA)
where:
Base-Base interactions energy: -315.700
where: short stacking energy: -149.340
Base-Backbone interact. energy: -0.391
local terms energy: -166.829395
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -36.718
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -35.989
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: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -448.669075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.669075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.669075 (E_RNA)
where:
Base-Base interactions energy: -297.098
where: short stacking energy: -146.640
Base-Backbone interact. energy: -0.506
local terms energy: -151.064392
where:
bonds (distance) C4'-P energy: -24.008
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -24.662
tors. eta vs tors. theta energy: -36.104
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: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -429.944085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.944085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.944085 (E_RNA)
where:
Base-Base interactions energy: -279.482
where: short stacking energy: -119.867
Base-Backbone interact. energy: -0.543
local terms energy: -149.919448
where:
bonds (distance) C4'-P energy: -34.842
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -15.851
tors. eta vs tors. theta energy: -28.816
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: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -368.629824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.629824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.629824 (E_RNA)
where:
Base-Base interactions energy: -236.771
where: short stacking energy: -117.343
Base-Backbone interact. energy: -0.433
local terms energy: -131.426354
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -27.365
flat angles C4'-P-C4' energy: -28.437
flat angles P-C4'-P energy: -22.370
tors. eta vs tors. theta energy: -25.273
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: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -398.650200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.650200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.650200 (E_RNA)
where:
Base-Base interactions energy: -242.477
where: short stacking energy: -111.743
Base-Backbone interact. energy: -0.658
local terms energy: -155.514278
where:
bonds (distance) C4'-P energy: -37.801
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -33.506
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -31.066
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: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -350.595513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.595513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.595513 (E_RNA)
where:
Base-Base interactions energy: -225.029
where: short stacking energy: -105.198
Base-Backbone interact. energy: -0.448
local terms energy: -125.118606
where:
bonds (distance) C4'-P energy: -31.154
bonds (distance) P-C4' energy: -25.522
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -296.919790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.919790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.919790 (E_RNA)
where:
Base-Base interactions energy: -185.040
where: short stacking energy: -101.226
Base-Backbone interact. energy: 2.617
local terms energy: -114.496136
where:
bonds (distance) C4'-P energy: -28.938
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -14.039
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: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -214.161392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.161392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.161392 (E_RNA)
where:
Base-Base interactions energy: -105.766
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.219
local terms energy: -108.176558
where:
bonds (distance) C4'-P energy: -27.002
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -570.679059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.679059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.679059 (E_RNA)
where:
Base-Base interactions energy: -376.212
where: short stacking energy: -191.670
Base-Backbone interact. energy: -0.002
local terms energy: -194.465507
where:
bonds (distance) C4'-P energy: -34.216
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -41.276
flat angles P-C4'-P energy: -27.684
tors. eta vs tors. theta energy: -53.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -537.695490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.695490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.695490 (E_RNA)
where:
Base-Base interactions energy: -357.634
where: short stacking energy: -173.238
Base-Backbone interact. energy: -0.076
local terms energy: -179.985023
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -35.435
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: -48.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -498.097095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.097095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.097095 (E_RNA)
where:
Base-Base interactions energy: -328.673
where: short stacking energy: -153.989
Base-Backbone interact. energy: 0.285
local terms energy: -169.709572
where:
bonds (distance) C4'-P energy: -41.494
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -32.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -497.861621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.861621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.861621 (E_RNA)
where:
Base-Base interactions energy: -325.375
where: short stacking energy: -169.878
Base-Backbone interact. energy: -0.298
local terms energy: -172.189348
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -34.617
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -54.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -448.543857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.543857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.543857 (E_RNA)
where:
Base-Base interactions energy: -287.898
where: short stacking energy: -131.594
Base-Backbone interact. energy: -0.453
local terms energy: -160.193065
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -35.386
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -34.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -419.884437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.884437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.884437 (E_RNA)
where:
Base-Base interactions energy: -263.705
where: short stacking energy: -131.700
Base-Backbone interact. energy: -0.008
local terms energy: -156.171002
where:
bonds (distance) C4'-P energy: -30.659
bonds (distance) P-C4' energy: -41.134
flat angles C4'-P-C4' energy: -35.222
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -33.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -357.980860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.980860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.980860 (E_RNA)
where:
Base-Base interactions energy: -213.734
where: short stacking energy: -116.934
Base-Backbone interact. energy: -0.163
local terms energy: -144.083885
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -35.810
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -24.712
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: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -358.624237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.624237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.624237 (E_RNA)
where:
Base-Base interactions energy: -237.937
where: short stacking energy: -112.441
Base-Backbone interact. energy: -0.142
local terms energy: -120.545030
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -24.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -318.459689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.459689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.459689 (E_RNA)
where:
Base-Base interactions energy: -193.761
where: short stacking energy: -98.257
Base-Backbone interact. energy: 1.035
local terms energy: -125.733657
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -28.768
flat angles C4'-P-C4' energy: -32.193
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -21.899
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: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -245.964221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.964221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.964221 (E_RNA)
where:
Base-Base interactions energy: -127.541
where: short stacking energy: -74.877
Base-Backbone interact. energy: -0.565
local terms energy: -117.858176
where:
bonds (distance) C4'-P energy: -28.640
bonds (distance) P-C4' energy: -38.017
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -9.320
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: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -563.960052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.960052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.960052 (E_RNA)
where:
Base-Base interactions energy: -384.278
where: short stacking energy: -189.696
Base-Backbone interact. energy: -0.178
local terms energy: -179.503377
where:
bonds (distance) C4'-P energy: -30.724
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -38.719
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -51.115
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: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -544.673476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.673476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.673476 (E_RNA)
where:
Base-Base interactions energy: -353.079
where: short stacking energy: -167.604
Base-Backbone interact. energy: -0.225
local terms energy: -191.368762
where:
bonds (distance) C4'-P energy: -38.329
bonds (distance) P-C4' energy: -39.955
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -30.541
tors. eta vs tors. theta energy: -45.848
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: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -511.937604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.937604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.937604 (E_RNA)
where:
Base-Base interactions energy: -337.597
where: short stacking energy: -180.886
Base-Backbone interact. energy: -0.278
local terms energy: -174.062365
where:
bonds (distance) C4'-P energy: -27.777
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -41.293
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -54.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -492.440984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.440984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.440984 (E_RNA)
where:
Base-Base interactions energy: -315.232
where: short stacking energy: -147.607
Base-Backbone interact. energy: -0.242
local terms energy: -176.967502
where:
bonds (distance) C4'-P energy: -35.366
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -35.856
flat angles P-C4'-P energy: -28.278
tors. eta vs tors. theta energy: -40.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -425.189671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.189671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.189671 (E_RNA)
where:
Base-Base interactions energy: -284.805
where: short stacking energy: -121.178
Base-Backbone interact. energy: -1.097
local terms energy: -139.287621
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -37.682
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -407.860283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.860283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.860283 (E_RNA)
where:
Base-Base interactions energy: -254.509
where: short stacking energy: -119.141
Base-Backbone interact. energy: -0.547
local terms energy: -152.804867
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -33.431
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -31.888
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: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -396.606806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.606806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.606806 (E_RNA)
where:
Base-Base interactions energy: -259.691
where: short stacking energy: -122.916
Base-Backbone interact. energy: -0.316
local terms energy: -136.599957
where:
bonds (distance) C4'-P energy: -26.555
bonds (distance) P-C4' energy: -34.993
flat angles C4'-P-C4' energy: -33.621
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -277.872045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.872045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.872045 (E_RNA)
where:
Base-Base interactions energy: -159.004
where: short stacking energy: -81.424
Base-Backbone interact. energy: -1.244
local terms energy: -117.623989
where:
bonds (distance) C4'-P energy: -30.873
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -329.619622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.619622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.619622 (E_RNA)
where:
Base-Base interactions energy: -197.160
where: short stacking energy: -102.881
Base-Backbone interact. energy: -0.328
local terms energy: -132.131568
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -31.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -218.248899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.248899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.248899 (E_RNA)
where:
Base-Base interactions energy: -112.548
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.254
local terms energy: -105.447157
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -4.282
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: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -554.817015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.817015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.817015 (E_RNA)
where:
Base-Base interactions energy: -372.753
where: short stacking energy: -181.298
Base-Backbone interact. energy: -0.068
local terms energy: -181.995245
where:
bonds (distance) C4'-P energy: -34.969
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -38.071
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -53.996
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: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -546.111581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.111581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.111581 (E_RNA)
where:
Base-Base interactions energy: -365.471
where: short stacking energy: -182.651
Base-Backbone interact. energy: -0.082
local terms energy: -180.559219
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -33.924
flat angles C4'-P-C4' energy: -38.782
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -44.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -526.699866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.699866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.699866 (E_RNA)
where:
Base-Base interactions energy: -350.830
where: short stacking energy: -178.005
Base-Backbone interact. energy: 1.008
local terms energy: -176.878263
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -30.547
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -27.970
tors. eta vs tors. theta energy: -50.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -468.510354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.510354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.510354 (E_RNA)
where:
Base-Base interactions energy: -302.861
where: short stacking energy: -138.348
Base-Backbone interact. energy: -0.133
local terms energy: -165.516666
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -39.291
flat angles C4'-P-C4' energy: -37.857
flat angles P-C4'-P energy: -23.750
tors. eta vs tors. theta energy: -39.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -426.104155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.104155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.104155 (E_RNA)
where:
Base-Base interactions energy: -277.298
where: short stacking energy: -135.256
Base-Backbone interact. energy: -1.458
local terms energy: -147.348301
where:
bonds (distance) C4'-P energy: -32.692
bonds (distance) P-C4' energy: -29.985
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -29.787
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: 471
Temperature: 1.150000
Total energy: -420.346362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.346362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.346362 (E_RNA)
where:
Base-Base interactions energy: -268.637
where: short stacking energy: -133.081
Base-Backbone interact. energy: -0.260
local terms energy: -151.449266
where:
bonds (distance) C4'-P energy: -35.508
bonds (distance) P-C4' energy: -32.339
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -26.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -362.489733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.489733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.489733 (E_RNA)
where:
Base-Base interactions energy: -248.809
where: short stacking energy: -109.102
Base-Backbone interact. energy: -0.667
local terms energy: -113.014544
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -32.967
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -17.521
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: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -341.197691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.197691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.197691 (E_RNA)
where:
Base-Base interactions energy: -203.631
where: short stacking energy: -107.395
Base-Backbone interact. energy: -0.674
local terms energy: -136.892763
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -30.173
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -20.063
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: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -320.455475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.455475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.455475 (E_RNA)
where:
Base-Base interactions energy: -200.654
where: short stacking energy: -108.301
Base-Backbone interact. energy: 5.507
local terms energy: -125.309023
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -32.273
flat angles C4'-P-C4' energy: -33.917
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -178.538375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.538375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.538375 (E_RNA)
where:
Base-Base interactions energy: -82.108
where: short stacking energy: -62.167
Base-Backbone interact. energy: 0.198
local terms energy: -96.628083
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -25.879
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -9.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -532.324411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.324411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.324411 (E_RNA)
where:
Base-Base interactions energy: -340.500
where: short stacking energy: -166.600
Base-Backbone interact. energy: -0.107
local terms energy: -191.718222
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -37.569
flat angles C4'-P-C4' energy: -42.571
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -45.610
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: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -557.353636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.353636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.353636 (E_RNA)
where:
Base-Base interactions energy: -362.097
where: short stacking energy: -176.935
Base-Backbone interact. energy: -0.330
local terms energy: -194.926575
where:
bonds (distance) C4'-P energy: -39.884
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -41.313
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -51.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -508.436657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.436657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.436657 (E_RNA)
where:
Base-Base interactions energy: -338.363
where: short stacking energy: -172.622
Base-Backbone interact. energy: -0.418
local terms energy: -169.655376
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -36.014
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -47.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -487.397901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.397901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.397901 (E_RNA)
where:
Base-Base interactions energy: -313.294
where: short stacking energy: -153.942
Base-Backbone interact. energy: -0.536
local terms energy: -173.567879
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -37.207
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -46.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -417.304894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.304894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.304894 (E_RNA)
where:
Base-Base interactions energy: -270.771
where: short stacking energy: -130.149
Base-Backbone interact. energy: -0.697
local terms energy: -145.836613
where:
bonds (distance) C4'-P energy: -34.349
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -25.749
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: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -419.191806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.191806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.191806 (E_RNA)
where:
Base-Base interactions energy: -288.553
where: short stacking energy: -123.914
Base-Backbone interact. energy: 3.088
local terms energy: -133.726548
where:
bonds (distance) C4'-P energy: -24.504
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -27.615
flat angles P-C4'-P energy: -23.227
tors. eta vs tors. theta energy: -24.144
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: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -399.315503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.315503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.315503 (E_RNA)
where:
Base-Base interactions energy: -258.513
where: short stacking energy: -122.991
Base-Backbone interact. energy: -1.232
local terms energy: -139.570458
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -33.568
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -26.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -308.822420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.822420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.822420 (E_RNA)
where:
Base-Base interactions energy: -202.948
where: short stacking energy: -103.647
Base-Backbone interact. energy: -0.263
local terms energy: -105.611752
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -30.204
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -291.177950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.177950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.177950 (E_RNA)
where:
Base-Base interactions energy: -182.805
where: short stacking energy: -95.399
Base-Backbone interact. energy: -0.435
local terms energy: -107.938390
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -26.479
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -15.984
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: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -158.838993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.838993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.838993 (E_RNA)
where:
Base-Base interactions energy: -61.637
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.251
local terms energy: -96.950735
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -545.770170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.770170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.770170 (E_RNA)
where:
Base-Base interactions energy: -360.053
where: short stacking energy: -183.422
Base-Backbone interact. energy: -0.293
local terms energy: -185.424815
where:
bonds (distance) C4'-P energy: -36.030
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -53.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -542.464502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.464502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.464502 (E_RNA)
where:
Base-Base interactions energy: -353.608
where: short stacking energy: -178.177
Base-Backbone interact. energy: -0.023
local terms energy: -188.833233
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -34.236
flat angles C4'-P-C4' energy: -37.631
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -57.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -513.554759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.554759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.554759 (E_RNA)
where:
Base-Base interactions energy: -342.994
where: short stacking energy: -181.354
Base-Backbone interact. energy: 1.209
local terms energy: -171.769756
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -40.077
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -46.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -480.954084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.954084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.954084 (E_RNA)
where:
Base-Base interactions energy: -313.021
where: short stacking energy: -141.782
Base-Backbone interact. energy: 0.179
local terms energy: -168.111628
where:
bonds (distance) C4'-P energy: -37.818
bonds (distance) P-C4' energy: -34.497
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -24.462
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: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -443.790598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.790598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.790598 (E_RNA)
where:
Base-Base interactions energy: -288.855
where: short stacking energy: -137.662
Base-Backbone interact. energy: 0.455
local terms energy: -155.390357
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -36.665
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: -33.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -411.520347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.520347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.520347 (E_RNA)
where:
Base-Base interactions energy: -259.048
where: short stacking energy: -123.887
Base-Backbone interact. energy: 0.426
local terms energy: -152.899222
where:
bonds (distance) C4'-P energy: -30.921
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -23.175
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: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -386.859050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.859050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.859050 (E_RNA)
where:
Base-Base interactions energy: -255.591
where: short stacking energy: -117.328
Base-Backbone interact. energy: -0.547
local terms energy: -130.720932
where:
bonds (distance) C4'-P energy: -37.789
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -33.724
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -19.905
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: 473
Temperature: 1.250000
Total energy: -333.199794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.199794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.199794 (E_RNA)
where:
Base-Base interactions energy: -203.536
where: short stacking energy: -115.434
Base-Backbone interact. energy: -0.176
local terms energy: -129.487233
where:
bonds (distance) C4'-P energy: -31.008
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -25.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -291.903822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.903822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.903822 (E_RNA)
where:
Base-Base interactions energy: -178.617
where: short stacking energy: -74.967
Base-Backbone interact. energy: -0.208
local terms energy: -113.078903
where:
bonds (distance) C4'-P energy: -32.738
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -28.162
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -176.734911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.734911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.734911 (E_RNA)
where:
Base-Base interactions energy: -66.737
where: short stacking energy: -57.556
Base-Backbone interact. energy: -0.796
local terms energy: -109.201959
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -564.527815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.527815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.527815 (E_RNA)
where:
Base-Base interactions energy: -375.224
where: short stacking energy: -192.664
Base-Backbone interact. energy: 1.839
local terms energy: -191.142237
where:
bonds (distance) C4'-P energy: -32.855
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -39.663
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -55.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -533.712938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.712938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.712938 (E_RNA)
where:
Base-Base interactions energy: -361.261
where: short stacking energy: -178.882
Base-Backbone interact. energy: -0.177
local terms energy: -172.274881
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -32.493
flat angles C4'-P-C4' energy: -33.972
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -47.539
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: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -515.507082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.507082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.507082 (E_RNA)
where:
Base-Base interactions energy: -336.594
where: short stacking energy: -171.230
Base-Backbone interact. energy: -0.593
local terms energy: -178.320449
where:
bonds (distance) C4'-P energy: -32.764
bonds (distance) P-C4' energy: -31.015
flat angles C4'-P-C4' energy: -38.440
flat angles P-C4'-P energy: -24.185
tors. eta vs tors. theta energy: -51.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -477.145064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.145064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.145064 (E_RNA)
where:
Base-Base interactions energy: -312.409
where: short stacking energy: -151.934
Base-Backbone interact. energy: -0.535
local terms energy: -164.201070
where:
bonds (distance) C4'-P energy: -33.040
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: -41.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -438.476935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.476935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.476935 (E_RNA)
where:
Base-Base interactions energy: -282.537
where: short stacking energy: -145.017
Base-Backbone interact. energy: -1.124
local terms energy: -154.815375
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -27.345
flat angles C4'-P-C4' energy: -42.330
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -39.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -399.162037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.162037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.162037 (E_RNA)
where:
Base-Base interactions energy: -257.576
where: short stacking energy: -125.525
Base-Backbone interact. energy: -0.150
local terms energy: -141.435560
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -39.210
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -395.221663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.221663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.221663 (E_RNA)
where:
Base-Base interactions energy: -257.562
where: short stacking energy: -110.883
Base-Backbone interact. energy: -0.013
local terms energy: -137.645999
where:
bonds (distance) C4'-P energy: -33.049
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -312.892684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.892684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.892684 (E_RNA)
where:
Base-Base interactions energy: -179.733
where: short stacking energy: -92.874
Base-Backbone interact. energy: -0.594
local terms energy: -132.565721
where:
bonds (distance) C4'-P energy: -35.667
bonds (distance) P-C4' energy: -33.520
flat angles C4'-P-C4' energy: -34.632
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -16.612
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: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -305.098530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.098530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.098530 (E_RNA)
where:
Base-Base interactions energy: -207.177
where: short stacking energy: -90.815
Base-Backbone interact. energy: 1.370
local terms energy: -99.291516
where:
bonds (distance) C4'-P energy: -25.479
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -160.497865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.497865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.497865 (E_RNA)
where:
Base-Base interactions energy: -60.808
where: short stacking energy: -56.757
Base-Backbone interact. energy: 1.750
local terms energy: -101.439454
where:
bonds (distance) C4'-P energy: -30.913
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -565.803353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.803353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.803353 (E_RNA)
where:
Base-Base interactions energy: -382.085
where: short stacking energy: -190.384
Base-Backbone interact. energy: -0.655
local terms energy: -183.063374
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -38.608
flat angles C4'-P-C4' energy: -38.233
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -53.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -552.312097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.312097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.312097 (E_RNA)
where:
Base-Base interactions energy: -366.859
where: short stacking energy: -180.851
Base-Backbone interact. energy: -0.378
local terms energy: -185.075387
where:
bonds (distance) C4'-P energy: -26.024
bonds (distance) P-C4' energy: -37.492
flat angles C4'-P-C4' energy: -39.143
flat angles P-C4'-P energy: -26.293
tors. eta vs tors. theta energy: -56.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -515.705190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.705190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.705190 (E_RNA)
where:
Base-Base interactions energy: -341.921
where: short stacking energy: -162.659
Base-Backbone interact. energy: 0.823
local terms energy: -174.607606
where:
bonds (distance) C4'-P energy: -35.503
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -43.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -487.961730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.961730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.961730 (E_RNA)
where:
Base-Base interactions energy: -332.121
where: short stacking energy: -172.388
Base-Backbone interact. energy: -0.146
local terms energy: -155.694585
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -32.647
flat angles C4'-P-C4' energy: -37.587
flat angles P-C4'-P energy: -23.403
tors. eta vs tors. theta energy: -45.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -438.488831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.488831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.488831 (E_RNA)
where:
Base-Base interactions energy: -285.213
where: short stacking energy: -144.535
Base-Backbone interact. energy: -0.153
local terms energy: -153.123407
where:
bonds (distance) C4'-P energy: -27.489
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -31.797
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: -35.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -418.514366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.514366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.514366 (E_RNA)
where:
Base-Base interactions energy: -261.164
where: short stacking energy: -130.113
Base-Backbone interact. energy: -1.044
local terms energy: -156.306100
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -34.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -371.658979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.658979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.658979 (E_RNA)
where:
Base-Base interactions energy: -249.750
where: short stacking energy: -103.836
Base-Backbone interact. energy: 1.705
local terms energy: -123.614588
where:
bonds (distance) C4'-P energy: -30.526
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -20.092
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: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -331.282693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.282693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.282693 (E_RNA)
where:
Base-Base interactions energy: -206.804
where: short stacking energy: -102.769
Base-Backbone interact. energy: -0.525
local terms energy: -123.953529
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -27.181
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -23.622
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -289.340024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.340024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.340024 (E_RNA)
where:
Base-Base interactions energy: -171.181
where: short stacking energy: -81.609
Base-Backbone interact. energy: 0.402
local terms energy: -118.560632
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -28.615
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -9.365
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: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -197.598528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.598528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.598528 (E_RNA)
where:
Base-Base interactions energy: -105.835
where: short stacking energy: -53.806
Base-Backbone interact. energy: 0.614
local terms energy: -92.377054
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -22.238
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -0.045
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: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -569.179815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.179815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.179815 (E_RNA)
where:
Base-Base interactions energy: -382.980
where: short stacking energy: -187.358
Base-Backbone interact. energy: -0.002
local terms energy: -186.197266
where:
bonds (distance) C4'-P energy: -34.997
bonds (distance) P-C4' energy: -37.427
flat angles C4'-P-C4' energy: -39.120
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -53.742
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: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -552.378212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.378212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.378212 (E_RNA)
where:
Base-Base interactions energy: -371.229
where: short stacking energy: -179.761
Base-Backbone interact. energy: -0.105
local terms energy: -181.044350
where:
bonds (distance) C4'-P energy: -32.328
bonds (distance) P-C4' energy: -37.913
flat angles C4'-P-C4' energy: -34.930
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -52.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -509.595742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.595742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.595742 (E_RNA)
where:
Base-Base interactions energy: -340.249
where: short stacking energy: -163.829
Base-Backbone interact. energy: 1.572
local terms energy: -170.918751
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -29.975
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -26.524
tors. eta vs tors. theta energy: -41.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -449.262968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.262968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.262968 (E_RNA)
where:
Base-Base interactions energy: -300.660
where: short stacking energy: -152.670
Base-Backbone interact. energy: -0.077
local terms energy: -148.525574
where:
bonds (distance) C4'-P energy: -36.121
bonds (distance) P-C4' energy: -25.206
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -33.208
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: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -452.433932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.433932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.433932 (E_RNA)
where:
Base-Base interactions energy: -300.132
where: short stacking energy: -153.150
Base-Backbone interact. energy: -0.271
local terms energy: -152.030302
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -36.099
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -41.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -409.148041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.148041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.148041 (E_RNA)
where:
Base-Base interactions energy: -260.941
where: short stacking energy: -132.851
Base-Backbone interact. energy: 0.833
local terms energy: -149.040068
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -36.834
flat angles P-C4'-P energy: -28.678
tors. eta vs tors. theta energy: -32.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -408.992306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.992306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.992306 (E_RNA)
where:
Base-Base interactions energy: -291.447
where: short stacking energy: -128.730
Base-Backbone interact. energy: 2.503
local terms energy: -120.048345
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -28.304
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: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -314.792773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.792773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.792773 (E_RNA)
where:
Base-Base interactions energy: -187.897
where: short stacking energy: -89.861
Base-Backbone interact. energy: -0.147
local terms energy: -126.748556
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -32.973
flat angles C4'-P-C4' energy: -39.104
flat angles P-C4'-P energy: -15.819
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: 9, replica: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -297.071252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.071252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.071252 (E_RNA)
where:
Base-Base interactions energy: -176.537
where: short stacking energy: -80.756
Base-Backbone interact. energy: -1.065
local terms energy: -119.469270
where:
bonds (distance) C4'-P energy: -29.628
bonds (distance) P-C4' energy: -30.914
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -182.864467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.864467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.864467 (E_RNA)
where:
Base-Base interactions energy: -72.703
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.398
local terms energy: -109.764042
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -37.170
flat angles C4'-P-C4' energy: -34.370
flat angles P-C4'-P energy: -18.127
tors. eta vs tors. theta energy: 3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -574.231972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.231972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.231972 (E_RNA)
where:
Base-Base interactions energy: -382.146
where: short stacking energy: -187.423
Base-Backbone interact. energy: -0.222
local terms energy: -191.863959
where:
bonds (distance) C4'-P energy: -32.355
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -40.492
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -54.212
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: 477
Temperature: 0.950000
Total energy: -539.613073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.613073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.613073 (E_RNA)
where:
Base-Base interactions energy: -362.097
where: short stacking energy: -182.881
Base-Backbone interact. energy: -0.197
local terms energy: -177.319316
where:
bonds (distance) C4'-P energy: -31.278
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -37.169
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -48.262
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: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -504.237162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.237162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.237162 (E_RNA)
where:
Base-Base interactions energy: -343.792
where: short stacking energy: -163.218
Base-Backbone interact. energy: -0.843
local terms energy: -159.601960
where:
bonds (distance) C4'-P energy: -33.569
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -34.595
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -44.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -463.948351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.948351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.948351 (E_RNA)
where:
Base-Base interactions energy: -303.636
where: short stacking energy: -163.950
Base-Backbone interact. energy: -0.754
local terms energy: -159.557976
where:
bonds (distance) C4'-P energy: -36.374
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -44.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -444.554654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.554654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.554654 (E_RNA)
where:
Base-Base interactions energy: -305.214
where: short stacking energy: -136.476
Base-Backbone interact. energy: -0.599
local terms energy: -138.742128
where:
bonds (distance) C4'-P energy: -20.230
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -31.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -401.977962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.977962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.977962 (E_RNA)
where:
Base-Base interactions energy: -266.167
where: short stacking energy: -137.186
Base-Backbone interact. energy: -0.587
local terms energy: -135.223846
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -34.433
flat angles P-C4'-P energy: -20.015
tors. eta vs tors. theta energy: -31.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -402.576807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.576807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.576807 (E_RNA)
where:
Base-Base interactions energy: -267.356
where: short stacking energy: -124.306
Base-Backbone interact. energy: -0.495
local terms energy: -134.725988
where:
bonds (distance) C4'-P energy: -32.485
bonds (distance) P-C4' energy: -30.355
flat angles C4'-P-C4' energy: -32.795
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -333.704583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.704583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.704583 (E_RNA)
where:
Base-Base interactions energy: -196.094
where: short stacking energy: -104.135
Base-Backbone interact. energy: -1.078
local terms energy: -136.532249
where:
bonds (distance) C4'-P energy: -31.139
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -31.362
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -20.165
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: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -301.438731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.438731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.438731 (E_RNA)
where:
Base-Base interactions energy: -174.974
where: short stacking energy: -89.433
Base-Backbone interact. energy: -1.226
local terms energy: -125.238804
where:
bonds (distance) C4'-P energy: -29.815
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -33.644
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -171.603427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.603427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.603427 (E_RNA)
where:
Base-Base interactions energy: -62.956
where: short stacking energy: -62.731
Base-Backbone interact. energy: 0.143
local terms energy: -108.790748
where:
bonds (distance) C4'-P energy: -25.778
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -579.357669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.357669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.357669 (E_RNA)
where:
Base-Base interactions energy: -386.505
where: short stacking energy: -187.052
Base-Backbone interact. energy: -0.405
local terms energy: -192.447081
where:
bonds (distance) C4'-P energy: -35.859
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -38.566
flat angles P-C4'-P energy: -26.692
tors. eta vs tors. theta energy: -57.080
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: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -548.731044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.731044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.731044 (E_RNA)
where:
Base-Base interactions energy: -370.218
where: short stacking energy: -181.110
Base-Backbone interact. energy: 2.019
local terms energy: -180.531890
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -36.973
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -48.327
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: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -506.529128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.529128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.529128 (E_RNA)
where:
Base-Base interactions energy: -328.592
where: short stacking energy: -165.641
Base-Backbone interact. energy: -0.743
local terms energy: -177.193546
where:
bonds (distance) C4'-P energy: -31.959
bonds (distance) P-C4' energy: -33.562
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -49.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -500.333901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.333901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.333901 (E_RNA)
where:
Base-Base interactions energy: -336.465
where: short stacking energy: -158.173
Base-Backbone interact. energy: 0.323
local terms energy: -164.192035
where:
bonds (distance) C4'-P energy: -34.656
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -25.599
tors. eta vs tors. theta energy: -40.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -475.931064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.931064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.931064 (E_RNA)
where:
Base-Base interactions energy: -303.025
where: short stacking energy: -143.189
Base-Backbone interact. energy: -0.263
local terms energy: -172.643199
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -36.215
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -43.874
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: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -383.449337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.449337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.449337 (E_RNA)
where:
Base-Base interactions energy: -236.018
where: short stacking energy: -116.300
Base-Backbone interact. energy: -0.432
local terms energy: -146.999211
where:
bonds (distance) C4'-P energy: -28.627
bonds (distance) P-C4' energy: -32.735
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -21.790
tors. eta vs tors. theta energy: -30.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -412.646800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.646800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.646800 (E_RNA)
where:
Base-Base interactions energy: -276.709
where: short stacking energy: -115.149
Base-Backbone interact. energy: -0.570
local terms energy: -135.367146
where:
bonds (distance) C4'-P energy: -35.881
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -19.085
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: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -309.958115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.958115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.958115 (E_RNA)
where:
Base-Base interactions energy: -192.605
where: short stacking energy: -98.166
Base-Backbone interact. energy: 1.068
local terms energy: -118.420864
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -13.365
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: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -326.581955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.581955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.581955 (E_RNA)
where:
Base-Base interactions energy: -188.641
where: short stacking energy: -104.700
Base-Backbone interact. energy: -0.435
local terms energy: -137.505971
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -19.841
tors. eta vs tors. theta energy: -25.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -153.437099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.437099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.437099 (E_RNA)
where:
Base-Base interactions energy: -62.843
where: short stacking energy: -49.801
Base-Backbone interact. energy: -0.520
local terms energy: -90.073640
where:
bonds (distance) C4'-P energy: -23.266
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: 5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -566.894448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.894448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.894448 (E_RNA)
where:
Base-Base interactions energy: -383.709
where: short stacking energy: -189.543
Base-Backbone interact. energy: -0.107
local terms energy: -183.077927
where:
bonds (distance) C4'-P energy: -34.468
bonds (distance) P-C4' energy: -31.801
flat angles C4'-P-C4' energy: -39.175
flat angles P-C4'-P energy: -29.167
tors. eta vs tors. theta energy: -48.467
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: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -555.847115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.847115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.847115 (E_RNA)
where:
Base-Base interactions energy: -376.484
where: short stacking energy: -190.197
Base-Backbone interact. energy: -0.195
local terms energy: -179.168521
where:
bonds (distance) C4'-P energy: -29.885
bonds (distance) P-C4' energy: -36.563
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -24.990
tors. eta vs tors. theta energy: -51.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -493.638088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.638088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.638088 (E_RNA)
where:
Base-Base interactions energy: -313.335
where: short stacking energy: -167.841
Base-Backbone interact. energy: -0.059
local terms energy: -180.243746
where:
bonds (distance) C4'-P energy: -38.149
bonds (distance) P-C4' energy: -31.309
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -25.487
tors. eta vs tors. theta energy: -47.888
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: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -479.472483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.472483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.472483 (E_RNA)
where:
Base-Base interactions energy: -313.292
where: short stacking energy: -162.374
Base-Backbone interact. energy: -0.101
local terms energy: -166.078960
where:
bonds (distance) C4'-P energy: -32.775
bonds (distance) P-C4' energy: -38.657
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -41.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -481.648743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.648743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.648743 (E_RNA)
where:
Base-Base interactions energy: -317.829
where: short stacking energy: -144.137
Base-Backbone interact. energy: -0.997
local terms energy: -162.822806
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -34.535
flat angles C4'-P-C4' energy: -34.191
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -37.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -436.969006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.969006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.969006 (E_RNA)
where:
Base-Base interactions energy: -281.613
where: short stacking energy: -133.826
Base-Backbone interact. energy: -0.211
local terms energy: -155.144708
where:
bonds (distance) C4'-P energy: -30.038
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -34.355
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -34.104
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: 7, replica: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -364.960642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.960642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.960642 (E_RNA)
where:
Base-Base interactions energy: -227.497
where: short stacking energy: -118.824
Base-Backbone interact. energy: -0.203
local terms energy: -137.260599
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -30.658
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -29.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -312.581834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.581834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.581834 (E_RNA)
where:
Base-Base interactions energy: -198.772
where: short stacking energy: -108.868
Base-Backbone interact. energy: -0.312
local terms energy: -113.497337
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -314.520536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.520536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.520536 (E_RNA)
where:
Base-Base interactions energy: -187.751
where: short stacking energy: -97.082
Base-Backbone interact. energy: -0.483
local terms energy: -126.286609
where:
bonds (distance) C4'-P energy: -26.983
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -16.425
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: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -164.767535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.767535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.767535 (E_RNA)
where:
Base-Base interactions energy: -64.158
where: short stacking energy: -50.062
Base-Backbone interact. energy: -0.562
local terms energy: -100.047189
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -568.067732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.067732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.067732 (E_RNA)
where:
Base-Base interactions energy: -374.320
where: short stacking energy: -188.431
Base-Backbone interact. energy: -0.355
local terms energy: -193.393150
where:
bonds (distance) C4'-P energy: -37.880
bonds (distance) P-C4' energy: -39.450
flat angles C4'-P-C4' energy: -38.542
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -54.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -566.176537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.176537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.176537 (E_RNA)
where:
Base-Base interactions energy: -378.387
where: short stacking energy: -195.510
Base-Backbone interact. energy: -0.056
local terms energy: -187.733484
where:
bonds (distance) C4'-P energy: -38.634
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -37.765
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -53.506
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: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -483.579291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.579291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.579291 (E_RNA)
where:
Base-Base interactions energy: -299.681
where: short stacking energy: -159.226
Base-Backbone interact. energy: -0.316
local terms energy: -183.582152
where:
bonds (distance) C4'-P energy: -31.834
bonds (distance) P-C4' energy: -38.926
flat angles C4'-P-C4' energy: -37.553
flat angles P-C4'-P energy: -27.802
tors. eta vs tors. theta energy: -47.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -478.456128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.456128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.456128 (E_RNA)
where:
Base-Base interactions energy: -320.494
where: short stacking energy: -150.799
Base-Backbone interact. energy: 0.850
local terms energy: -158.811400
where:
bonds (distance) C4'-P energy: -23.183
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: -42.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -481.365864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.365864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.365864 (E_RNA)
where:
Base-Base interactions energy: -328.300
where: short stacking energy: -152.438
Base-Backbone interact. energy: 3.174
local terms energy: -156.240000
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -35.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -427.333879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.333879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.333879 (E_RNA)
where:
Base-Base interactions energy: -281.349
where: short stacking energy: -129.935
Base-Backbone interact. energy: 1.112
local terms energy: -147.097572
where:
bonds (distance) C4'-P energy: -34.235
bonds (distance) P-C4' energy: -31.152
flat angles C4'-P-C4' energy: -33.577
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -31.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -373.774885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.774885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.774885 (E_RNA)
where:
Base-Base interactions energy: -249.046
where: short stacking energy: -124.490
Base-Backbone interact. energy: 2.141
local terms energy: -126.870210
where:
bonds (distance) C4'-P energy: -30.297
bonds (distance) P-C4' energy: -33.339
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -27.711
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: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -305.221090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.221090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.221090 (E_RNA)
where:
Base-Base interactions energy: -191.392
where: short stacking energy: -95.182
Base-Backbone interact. energy: -0.508
local terms energy: -113.320917
where:
bonds (distance) C4'-P energy: -26.465
bonds (distance) P-C4' energy: -28.146
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -18.232
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -296.275396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.275396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.275396 (E_RNA)
where:
Base-Base interactions energy: -187.557
where: short stacking energy: -90.527
Base-Backbone interact. energy: 0.096
local terms energy: -108.813798
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -183.105434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.105434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.105434 (E_RNA)
where:
Base-Base interactions energy: -80.940
where: short stacking energy: -47.671
Base-Backbone interact. energy: -1.147
local terms energy: -101.018672
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -571.403037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.403037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.403037 (E_RNA)
where:
Base-Base interactions energy: -370.480
where: short stacking energy: -181.158
Base-Backbone interact. energy: -0.762
local terms energy: -200.160901
where:
bonds (distance) C4'-P energy: -32.778
bonds (distance) P-C4' energy: -41.680
flat angles C4'-P-C4' energy: -41.423
flat angles P-C4'-P energy: -29.252
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: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -549.331510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.331510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.331510 (E_RNA)
where:
Base-Base interactions energy: -364.821
where: short stacking energy: -179.679
Base-Backbone interact. energy: -1.325
local terms energy: -183.185394
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -50.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -479.348111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.348111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.348111 (E_RNA)
where:
Base-Base interactions energy: -299.470
where: short stacking energy: -155.947
Base-Backbone interact. energy: -0.118
local terms energy: -179.760329
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -36.787
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -27.105
tors. eta vs tors. theta energy: -43.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -497.901936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.901936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.901936 (E_RNA)
where:
Base-Base interactions energy: -341.378
where: short stacking energy: -171.287
Base-Backbone interact. energy: -0.242
local terms energy: -156.281802
where:
bonds (distance) C4'-P energy: -34.072
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: -39.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -480.589009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.589009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.589009 (E_RNA)
where:
Base-Base interactions energy: -314.974
where: short stacking energy: -152.507
Base-Backbone interact. energy: -0.028
local terms energy: -165.586711
where:
bonds (distance) C4'-P energy: -31.437
bonds (distance) P-C4' energy: -29.466
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -45.319
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: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -398.362965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.362965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.362965 (E_RNA)
where:
Base-Base interactions energy: -250.867
where: short stacking energy: -127.105
Base-Backbone interact. energy: 0.685
local terms energy: -148.180911
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -34.143
flat angles C4'-P-C4' energy: -35.314
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -25.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -393.862816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.862816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.862816 (E_RNA)
where:
Base-Base interactions energy: -261.842
where: short stacking energy: -110.303
Base-Backbone interact. energy: 0.903
local terms energy: -132.924071
where:
bonds (distance) C4'-P energy: -22.594
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -31.131
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -26.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -306.014187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.014187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.014187 (E_RNA)
where:
Base-Base interactions energy: -183.479
where: short stacking energy: -88.415
Base-Backbone interact. energy: -0.024
local terms energy: -122.510567
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -32.894
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -5.769
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: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -303.558538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.558538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.558538 (E_RNA)
where:
Base-Base interactions energy: -185.747
where: short stacking energy: -89.151
Base-Backbone interact. energy: 0.236
local terms energy: -118.047153
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -15.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -197.274498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.274498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.274498 (E_RNA)
where:
Base-Base interactions energy: -89.512
where: short stacking energy: -64.585
Base-Backbone interact. energy: 0.096
local terms energy: -107.858529
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -35.326
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -8.576
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: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -559.029012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.029012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.029012 (E_RNA)
where:
Base-Base interactions energy: -387.929
where: short stacking energy: -183.338
Base-Backbone interact. energy: -0.495
local terms energy: -170.604938
where:
bonds (distance) C4'-P energy: -30.174
bonds (distance) P-C4' energy: -30.745
flat angles C4'-P-C4' energy: -32.573
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: -50.857
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: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -546.946898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.946898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.946898 (E_RNA)
where:
Base-Base interactions energy: -357.435
where: short stacking energy: -175.463
Base-Backbone interact. energy: -0.127
local terms energy: -189.384939
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -38.490
flat angles P-C4'-P energy: -33.949
tors. eta vs tors. theta energy: -53.405
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: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -520.295919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.295919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.295919 (E_RNA)
where:
Base-Base interactions energy: -345.320
where: short stacking energy: -178.693
Base-Backbone interact. energy: -0.407
local terms energy: -174.569692
where:
bonds (distance) C4'-P energy: -35.281
bonds (distance) P-C4' energy: -28.897
flat angles C4'-P-C4' energy: -39.772
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -49.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -474.370349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.370349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.370349 (E_RNA)
where:
Base-Base interactions energy: -313.667
where: short stacking energy: -164.416
Base-Backbone interact. energy: -1.118
local terms energy: -159.584540
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -30.219
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: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -416.901842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.901842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.901842 (E_RNA)
where:
Base-Base interactions energy: -259.150
where: short stacking energy: -128.956
Base-Backbone interact. energy: -0.181
local terms energy: -157.570366
where:
bonds (distance) C4'-P energy: -31.972
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -36.767
flat angles P-C4'-P energy: -26.301
tors. eta vs tors. theta energy: -27.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -455.467211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.467211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.467211 (E_RNA)
where:
Base-Base interactions energy: -303.598
where: short stacking energy: -140.034
Base-Backbone interact. energy: -0.133
local terms energy: -151.736607
where:
bonds (distance) C4'-P energy: -28.446
bonds (distance) P-C4' energy: -24.915
flat angles C4'-P-C4' energy: -37.019
flat angles P-C4'-P energy: -27.335
tors. eta vs tors. theta energy: -34.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -424.005455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.005455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.005455 (E_RNA)
where:
Base-Base interactions energy: -283.221
where: short stacking energy: -119.460
Base-Backbone interact. energy: -0.449
local terms energy: -140.334984
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -32.282
flat angles C4'-P-C4' energy: -35.281
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -30.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -307.511021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.511021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.511021 (E_RNA)
where:
Base-Base interactions energy: -180.287
where: short stacking energy: -91.127
Base-Backbone interact. energy: -0.952
local terms energy: -126.271875
where:
bonds (distance) C4'-P energy: -36.765
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -307.564845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.564845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.564845 (E_RNA)
where:
Base-Base interactions energy: -189.200
where: short stacking energy: -81.090
Base-Backbone interact. energy: -0.386
local terms energy: -117.978677
where:
bonds (distance) C4'-P energy: -22.052
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -17.008
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: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -218.129771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.129771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.129771 (E_RNA)
where:
Base-Base interactions energy: -107.644
where: short stacking energy: -73.139
Base-Backbone interact. energy: 2.886
local terms energy: -113.371576
where:
bonds (distance) C4'-P energy: -24.656
bonds (distance) P-C4' energy: -32.715
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -10.038
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: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -561.487129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.487129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.487129 (E_RNA)
where:
Base-Base interactions energy: -374.126
where: short stacking energy: -174.884
Base-Backbone interact. energy: -0.206
local terms energy: -187.155297
where:
bonds (distance) C4'-P energy: -37.851
bonds (distance) P-C4' energy: -39.251
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -52.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -540.289861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.289861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.289861 (E_RNA)
where:
Base-Base interactions energy: -345.457
where: short stacking energy: -176.409
Base-Backbone interact. energy: -0.418
local terms energy: -194.414117
where:
bonds (distance) C4'-P energy: -34.482
bonds (distance) P-C4' energy: -38.213
flat angles C4'-P-C4' energy: -36.620
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -56.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -517.592150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.592150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.592150 (E_RNA)
where:
Base-Base interactions energy: -340.501
where: short stacking energy: -170.337
Base-Backbone interact. energy: -0.543
local terms energy: -176.548283
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -40.078
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -46.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -468.111210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.111210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.111210 (E_RNA)
where:
Base-Base interactions energy: -297.768
where: short stacking energy: -142.829
Base-Backbone interact. energy: -0.407
local terms energy: -169.936205
where:
bonds (distance) C4'-P energy: -37.767
bonds (distance) P-C4' energy: -36.766
flat angles C4'-P-C4' energy: -35.475
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: -35.781
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: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -465.212072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.212072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.212072 (E_RNA)
where:
Base-Base interactions energy: -292.811
where: short stacking energy: -152.217
Base-Backbone interact. energy: -0.513
local terms energy: -171.888238
where:
bonds (distance) C4'-P energy: -34.383
bonds (distance) P-C4' energy: -36.926
flat angles C4'-P-C4' energy: -38.567
flat angles P-C4'-P energy: -21.123
tors. eta vs tors. theta energy: -40.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -450.431299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.431299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.431299 (E_RNA)
where:
Base-Base interactions energy: -294.865
where: short stacking energy: -140.350
Base-Backbone interact. energy: -0.678
local terms energy: -154.888375
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -30.513
flat angles C4'-P-C4' energy: -34.419
flat angles P-C4'-P energy: -25.476
tors. eta vs tors. theta energy: -35.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -403.840080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.840080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.840080 (E_RNA)
where:
Base-Base interactions energy: -274.117
where: short stacking energy: -120.049
Base-Backbone interact. energy: -1.876
local terms energy: -127.847578
where:
bonds (distance) C4'-P energy: -20.233
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -19.415
tors. eta vs tors. theta energy: -28.444
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: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -325.461721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.461721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.461721 (E_RNA)
where:
Base-Base interactions energy: -207.191
where: short stacking energy: -104.955
Base-Backbone interact. energy: -0.307
local terms energy: -117.963663
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -30.355
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -21.349
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: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -311.668203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.668203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.668203 (E_RNA)
where:
Base-Base interactions energy: -193.406
where: short stacking energy: -102.113
Base-Backbone interact. energy: -0.761
local terms energy: -117.501840
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -29.968
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -12.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -221.499769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.499769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.499769 (E_RNA)
where:
Base-Base interactions energy: -131.806
where: short stacking energy: -63.529
Base-Backbone interact. energy: -0.659
local terms energy: -89.034982
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -4.953
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: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -568.675887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.675887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.675887 (E_RNA)
where:
Base-Base interactions energy: -373.446
where: short stacking energy: -190.145
Base-Backbone interact. energy: -0.020
local terms energy: -195.210226
where:
bonds (distance) C4'-P energy: -39.817
bonds (distance) P-C4' energy: -36.060
flat angles C4'-P-C4' energy: -41.470
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -54.052
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: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -534.485142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.485142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.485142 (E_RNA)
where:
Base-Base interactions energy: -353.018
where: short stacking energy: -172.085
Base-Backbone interact. energy: -0.276
local terms energy: -181.190764
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -31.046
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -23.900
tors. eta vs tors. theta energy: -50.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -472.026025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.026025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.026025 (E_RNA)
where:
Base-Base interactions energy: -297.030
where: short stacking energy: -156.242
Base-Backbone interact. energy: -1.267
local terms energy: -173.729314
where:
bonds (distance) C4'-P energy: -33.797
bonds (distance) P-C4' energy: -36.717
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -25.892
tors. eta vs tors. theta energy: -39.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -492.614223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.614223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.614223 (E_RNA)
where:
Base-Base interactions energy: -326.812
where: short stacking energy: -160.648
Base-Backbone interact. energy: -0.073
local terms energy: -165.728859
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -24.064
tors. eta vs tors. theta energy: -41.496
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: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -462.031465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.031465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.031465 (E_RNA)
where:
Base-Base interactions energy: -300.426
where: short stacking energy: -141.567
Base-Backbone interact. energy: -0.175
local terms energy: -161.430080
where:
bonds (distance) C4'-P energy: -28.439
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -38.305
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -36.751
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: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -428.770127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.770127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.770127 (E_RNA)
where:
Base-Base interactions energy: -275.464
where: short stacking energy: -139.176
Base-Backbone interact. energy: -0.844
local terms energy: -152.461963
where:
bonds (distance) C4'-P energy: -29.753
bonds (distance) P-C4' energy: -32.052
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -33.615
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: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -395.112856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.112856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.112856 (E_RNA)
where:
Base-Base interactions energy: -264.115
where: short stacking energy: -123.757
Base-Backbone interact. energy: 0.392
local terms energy: -131.389194
where:
bonds (distance) C4'-P energy: -23.481
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -323.022290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.022290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.022290 (E_RNA)
where:
Base-Base interactions energy: -202.396
where: short stacking energy: -93.805
Base-Backbone interact. energy: -0.546
local terms energy: -120.080384
where:
bonds (distance) C4'-P energy: -25.027
bonds (distance) P-C4' energy: -25.450
flat angles C4'-P-C4' energy: -33.350
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -19.596
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: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -237.519547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.519547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.519547 (E_RNA)
where:
Base-Base interactions energy: -134.310
where: short stacking energy: -73.794
Base-Backbone interact. energy: 0.107
local terms energy: -103.316415
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -298.277338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.277338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.277338 (E_RNA)
where:
Base-Base interactions energy: -176.034
where: short stacking energy: -83.800
Base-Backbone interact. energy: -0.762
local terms energy: -121.481208
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -35.008
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -559.919454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.919454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.919454 (E_RNA)
where:
Base-Base interactions energy: -362.584
where: short stacking energy: -175.741
Base-Backbone interact. energy: -0.170
local terms energy: -197.165802
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -38.647
flat angles C4'-P-C4' energy: -34.562
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -57.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -549.954283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.954283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.954283 (E_RNA)
where:
Base-Base interactions energy: -366.506
where: short stacking energy: -178.781
Base-Backbone interact. energy: -0.058
local terms energy: -183.390583
where:
bonds (distance) C4'-P energy: -35.236
bonds (distance) P-C4' energy: -35.929
flat angles C4'-P-C4' energy: -33.920
flat angles P-C4'-P energy: -26.249
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: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -463.002401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.002401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.002401 (E_RNA)
where:
Base-Base interactions energy: -306.736
where: short stacking energy: -138.450
Base-Backbone interact. energy: -0.573
local terms energy: -155.693221
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -37.406
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -29.492
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: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -476.489189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.489189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.489189 (E_RNA)
where:
Base-Base interactions energy: -316.880
where: short stacking energy: -149.881
Base-Backbone interact. energy: -0.267
local terms energy: -159.342236
where:
bonds (distance) C4'-P energy: -30.045
bonds (distance) P-C4' energy: -36.131
flat angles C4'-P-C4' energy: -34.513
flat angles P-C4'-P energy: -18.539
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: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -445.186812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.186812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.186812 (E_RNA)
where:
Base-Base interactions energy: -281.585
where: short stacking energy: -132.503
Base-Backbone interact. energy: -0.893
local terms energy: -162.708595
where:
bonds (distance) C4'-P energy: -33.973
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -36.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -407.023027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.023027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.023027 (E_RNA)
where:
Base-Base interactions energy: -281.855
where: short stacking energy: -131.992
Base-Backbone interact. energy: -0.259
local terms energy: -124.909255
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -28.493
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -28.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -401.953834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.953834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.953834 (E_RNA)
where:
Base-Base interactions energy: -260.294
where: short stacking energy: -120.657
Base-Backbone interact. energy: -0.315
local terms energy: -141.344535
where:
bonds (distance) C4'-P energy: -30.996
bonds (distance) P-C4' energy: -31.408
flat angles C4'-P-C4' energy: -33.153
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -29.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -340.624122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.624122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.624122 (E_RNA)
where:
Base-Base interactions energy: -211.513
where: short stacking energy: -105.286
Base-Backbone interact. energy: -0.244
local terms energy: -128.867474
where:
bonds (distance) C4'-P energy: -28.383
bonds (distance) P-C4' energy: -35.189
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -19.776
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: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -279.819283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.819283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.819283 (E_RNA)
where:
Base-Base interactions energy: -162.186
where: short stacking energy: -77.058
Base-Backbone interact. energy: -2.075
local terms energy: -115.558442
where:
bonds (distance) C4'-P energy: -33.981
bonds (distance) P-C4' energy: -24.748
flat angles C4'-P-C4' energy: -31.087
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -13.373
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: 485
Temperature: 1.350000
Total energy: -294.115308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.115308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.115308 (E_RNA)
where:
Base-Base interactions energy: -167.827
where: short stacking energy: -83.102
Base-Backbone interact. energy: -0.651
local terms energy: -125.637828
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -34.266
flat angles C4'-P-C4' energy: -33.065
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -570.518033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.518033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.518033 (E_RNA)
where:
Base-Base interactions energy: -375.365
where: short stacking energy: -186.729
Base-Backbone interact. energy: -0.583
local terms energy: -194.570415
where:
bonds (distance) C4'-P energy: -38.216
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -38.417
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -55.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -558.945417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.945417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.945417 (E_RNA)
where:
Base-Base interactions energy: -369.457
where: short stacking energy: -188.433
Base-Backbone interact. energy: -0.118
local terms energy: -189.370514
where:
bonds (distance) C4'-P energy: -35.215
bonds (distance) P-C4' energy: -38.653
flat angles C4'-P-C4' energy: -37.559
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -53.465
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: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -501.309384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.309384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.309384 (E_RNA)
where:
Base-Base interactions energy: -327.820
where: short stacking energy: -150.809
Base-Backbone interact. energy: -0.415
local terms energy: -173.075151
where:
bonds (distance) C4'-P energy: -31.974
bonds (distance) P-C4' energy: -37.263
flat angles C4'-P-C4' energy: -37.631
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: -37.923
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: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -445.826241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.826241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.826241 (E_RNA)
where:
Base-Base interactions energy: -309.436
where: short stacking energy: -131.871
Base-Backbone interact. energy: 1.306
local terms energy: -137.695442
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -29.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -463.475478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.475478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.475478 (E_RNA)
where:
Base-Base interactions energy: -299.701
where: short stacking energy: -156.245
Base-Backbone interact. energy: -0.239
local terms energy: -163.535684
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -31.325
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -25.082
tors. eta vs tors. theta energy: -41.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -424.544196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.544196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.544196 (E_RNA)
where:
Base-Base interactions energy: -273.683
where: short stacking energy: -134.180
Base-Backbone interact. energy: -0.769
local terms energy: -150.091476
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -31.559
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -31.411
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: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -399.900037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.900037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.900037 (E_RNA)
where:
Base-Base interactions energy: -253.663
where: short stacking energy: -123.606
Base-Backbone interact. energy: -0.251
local terms energy: -145.985960
where:
bonds (distance) C4'-P energy: -29.337
bonds (distance) P-C4' energy: -36.146
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -30.023
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: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -304.847254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.847254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.847254 (E_RNA)
where:
Base-Base interactions energy: -183.529
where: short stacking energy: -84.480
Base-Backbone interact. energy: -0.466
local terms energy: -120.852355
where:
bonds (distance) C4'-P energy: -28.504
bonds (distance) P-C4' energy: -30.723
flat angles C4'-P-C4' energy: -30.876
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -315.027061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.027061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.027061 (E_RNA)
where:
Base-Base interactions energy: -189.121
where: short stacking energy: -100.854
Base-Backbone interact. energy: 2.226
local terms energy: -128.132293
where:
bonds (distance) C4'-P energy: -25.288
bonds (distance) P-C4' energy: -34.484
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -214.970501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.970501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.970501 (E_RNA)
where:
Base-Base interactions energy: -120.855
where: short stacking energy: -56.631
Base-Backbone interact. energy: -1.157
local terms energy: -92.958169
where:
bonds (distance) C4'-P energy: -27.104
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: 2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -565.033584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.033584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.033584 (E_RNA)
where:
Base-Base interactions energy: -370.695
where: short stacking energy: -180.277
Base-Backbone interact. energy: -0.062
local terms energy: -194.277253
where:
bonds (distance) C4'-P energy: -34.667
bonds (distance) P-C4' energy: -34.703
flat angles C4'-P-C4' energy: -41.719
flat angles P-C4'-P energy: -29.980
tors. eta vs tors. theta energy: -53.208
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: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -545.419365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.419365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.419365 (E_RNA)
where:
Base-Base interactions energy: -346.793
where: short stacking energy: -182.393
Base-Backbone interact. energy: -0.723
local terms energy: -197.903736
where:
bonds (distance) C4'-P energy: -37.662
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -56.090
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: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -521.075420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.075420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.075420 (E_RNA)
where:
Base-Base interactions energy: -346.351
where: short stacking energy: -166.069
Base-Backbone interact. energy: -0.251
local terms energy: -174.473922
where:
bonds (distance) C4'-P energy: -30.888
bonds (distance) P-C4' energy: -34.445
flat angles C4'-P-C4' energy: -38.378
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -49.358
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: 487
Temperature: 1.050000
Total energy: -518.654112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.654112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.654112 (E_RNA)
where:
Base-Base interactions energy: -339.184
where: short stacking energy: -164.534
Base-Backbone interact. energy: -0.110
local terms energy: -179.360115
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -38.711
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -43.911
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: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -417.275782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.275782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.275782 (E_RNA)
where:
Base-Base interactions energy: -279.082
where: short stacking energy: -119.409
Base-Backbone interact. energy: -0.996
local terms energy: -137.198021
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -35.989
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -23.913
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: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -428.928418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.928418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.928418 (E_RNA)
where:
Base-Base interactions energy: -279.678
where: short stacking energy: -126.898
Base-Backbone interact. energy: -0.553
local terms energy: -148.697547
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -37.687
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -27.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -396.517017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.517017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.517017 (E_RNA)
where:
Base-Base interactions energy: -247.887
where: short stacking energy: -114.812
Base-Backbone interact. energy: -0.410
local terms energy: -148.220255
where:
bonds (distance) C4'-P energy: -30.795
bonds (distance) P-C4' energy: -31.239
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -29.932
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: 487
Temperature: 1.250000
Total energy: -318.075585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.075585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.075585 (E_RNA)
where:
Base-Base interactions energy: -210.589
where: short stacking energy: -111.092
Base-Backbone interact. energy: 0.963
local terms energy: -108.448915
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -295.912679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.912679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.912679 (E_RNA)
where:
Base-Base interactions energy: -185.499
where: short stacking energy: -97.681
Base-Backbone interact. energy: 0.304
local terms energy: -110.718003
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -21.431
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: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -157.341704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.341704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.341704 (E_RNA)
where:
Base-Base interactions energy: -63.185
where: short stacking energy: -54.518
Base-Backbone interact. energy: -0.548
local terms energy: -93.608665
where:
bonds (distance) C4'-P energy: -27.527
bonds (distance) P-C4' energy: -25.591
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: 2.078
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: 488
Temperature: 0.900000
Total energy: -563.059303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.059303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.059303 (E_RNA)
where:
Base-Base interactions energy: -361.361
where: short stacking energy: -191.651
Base-Backbone interact. energy: 0.928
local terms energy: -202.625897
where:
bonds (distance) C4'-P energy: -37.902
bonds (distance) P-C4' energy: -39.213
flat angles C4'-P-C4' energy: -38.864
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -56.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -552.058810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.058810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.058810 (E_RNA)
where:
Base-Base interactions energy: -369.543
where: short stacking energy: -177.555
Base-Backbone interact. energy: -0.009
local terms energy: -182.506553
where:
bonds (distance) C4'-P energy: -34.825
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -29.121
tors. eta vs tors. theta energy: -48.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -519.496746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.496746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.496746 (E_RNA)
where:
Base-Base interactions energy: -343.853
where: short stacking energy: -162.149
Base-Backbone interact. energy: -1.044
local terms energy: -174.599866
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -25.908
tors. eta vs tors. theta energy: -46.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -503.578782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.578782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.578782 (E_RNA)
where:
Base-Base interactions energy: -335.779
where: short stacking energy: -167.029
Base-Backbone interact. energy: -1.125
local terms energy: -166.674887
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -22.532
tors. eta vs tors. theta energy: -45.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -468.077732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.077732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.077732 (E_RNA)
where:
Base-Base interactions energy: -324.305
where: short stacking energy: -158.211
Base-Backbone interact. energy: -0.396
local terms energy: -143.375833
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -22.622
tors. eta vs tors. theta energy: -42.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -416.848565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.848565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.848565 (E_RNA)
where:
Base-Base interactions energy: -268.571
where: short stacking energy: -126.323
Base-Backbone interact. energy: 1.815
local terms energy: -150.092510
where:
bonds (distance) C4'-P energy: -33.435
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -37.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -401.392623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.392623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.392623 (E_RNA)
where:
Base-Base interactions energy: -244.877
where: short stacking energy: -115.415
Base-Backbone interact. energy: -0.195
local terms energy: -156.321044
where:
bonds (distance) C4'-P energy: -35.488
bonds (distance) P-C4' energy: -33.032
flat angles C4'-P-C4' energy: -32.950
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -35.312
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: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -320.447965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.447965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.447965 (E_RNA)
where:
Base-Base interactions energy: -209.250
where: short stacking energy: -96.570
Base-Backbone interact. energy: 2.116
local terms energy: -113.314255
where:
bonds (distance) C4'-P energy: -31.445
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -18.730
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: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -297.555175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.555175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.555175 (E_RNA)
where:
Base-Base interactions energy: -181.868
where: short stacking energy: -86.070
Base-Backbone interact. energy: 0.627
local terms energy: -116.314697
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -165.290015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.290015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.290015 (E_RNA)
where:
Base-Base interactions energy: -61.633
where: short stacking energy: -52.484
Base-Backbone interact. energy: -0.477
local terms energy: -103.180059
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -31.471
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -5.536
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: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -552.374920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.374920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.374920 (E_RNA)
where:
Base-Base interactions energy: -358.710
where: short stacking energy: -193.884
Base-Backbone interact. energy: -0.133
local terms energy: -193.531550
where:
bonds (distance) C4'-P energy: -38.685
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -38.391
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: -52.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -551.997343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.997343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.997343 (E_RNA)
where:
Base-Base interactions energy: -367.995
where: short stacking energy: -173.708
Base-Backbone interact. energy: -0.750
local terms energy: -183.251999
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -35.425
flat angles C4'-P-C4' energy: -36.731
flat angles P-C4'-P energy: -26.008
tors. eta vs tors. theta energy: -50.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -510.425524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.425524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.425524 (E_RNA)
where:
Base-Base interactions energy: -343.204
where: short stacking energy: -157.621
Base-Backbone interact. energy: -0.151
local terms energy: -167.071242
where:
bonds (distance) C4'-P energy: -27.077
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -32.696
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -46.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -493.498858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.498858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.498858 (E_RNA)
where:
Base-Base interactions energy: -337.459
where: short stacking energy: -151.659
Base-Backbone interact. energy: -0.453
local terms energy: -155.586216
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -38.584
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -37.647
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: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -488.504293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.504293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.504293 (E_RNA)
where:
Base-Base interactions energy: -325.203
where: short stacking energy: -158.885
Base-Backbone interact. energy: -0.707
local terms energy: -162.594281
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -36.938
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -41.755
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: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -431.967331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.967331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.967331 (E_RNA)
where:
Base-Base interactions energy: -282.966
where: short stacking energy: -122.529
Base-Backbone interact. energy: -0.553
local terms energy: -148.448244
where:
bonds (distance) C4'-P energy: -27.092
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -30.452
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -32.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -368.862714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.862714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.862714 (E_RNA)
where:
Base-Base interactions energy: -238.730
where: short stacking energy: -115.214
Base-Backbone interact. energy: 3.043
local terms energy: -133.175267
where:
bonds (distance) C4'-P energy: -34.870
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -32.148
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -320.297636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.297636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.297636 (E_RNA)
where:
Base-Base interactions energy: -187.086
where: short stacking energy: -98.890
Base-Backbone interact. energy: -0.435
local terms energy: -132.776824
where:
bonds (distance) C4'-P energy: -27.068
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -36.510
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -21.869
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: 489
Temperature: 1.300000
Total energy: -293.431276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.431276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.431276 (E_RNA)
where:
Base-Base interactions energy: -189.798
where: short stacking energy: -93.175
Base-Backbone interact. energy: 0.634
local terms energy: -104.266962
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -31.152
flat angles C4'-P-C4' energy: -27.154
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -160.940614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.940614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.940614 (E_RNA)
where:
Base-Base interactions energy: -66.773
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.081
local terms energy: -94.086407
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -25.357
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: 4.373
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: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -564.425590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.425590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.425590 (E_RNA)
where:
Base-Base interactions energy: -369.574
where: short stacking energy: -191.278
Base-Backbone interact. energy: -0.871
local terms energy: -193.980732
where:
bonds (distance) C4'-P energy: -36.059
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -53.490
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: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -532.376051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.376051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.376051 (E_RNA)
where:
Base-Base interactions energy: -352.435
where: short stacking energy: -164.903
Base-Backbone interact. energy: -0.428
local terms energy: -179.513382
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -34.631
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -27.221
tors. eta vs tors. theta energy: -48.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -514.017585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.017585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.017585 (E_RNA)
where:
Base-Base interactions energy: -346.476
where: short stacking energy: -155.586
Base-Backbone interact. energy: 1.116
local terms energy: -168.656988
where:
bonds (distance) C4'-P energy: -31.005
bonds (distance) P-C4' energy: -31.148
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -27.886
tors. eta vs tors. theta energy: -44.047
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: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -511.279480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.279480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.279480 (E_RNA)
where:
Base-Base interactions energy: -338.381
where: short stacking energy: -154.503
Base-Backbone interact. energy: -0.392
local terms energy: -172.506792
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -19.127
tors. eta vs tors. theta energy: -49.711
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: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -422.386235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.386235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.386235 (E_RNA)
where:
Base-Base interactions energy: -270.500
where: short stacking energy: -112.811
Base-Backbone interact. energy: -1.625
local terms energy: -150.261841
where:
bonds (distance) C4'-P energy: -36.742
bonds (distance) P-C4' energy: -33.549
flat angles C4'-P-C4' energy: -34.541
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: -24.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -483.729711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.729711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.729711 (E_RNA)
where:
Base-Base interactions energy: -327.190
where: short stacking energy: -162.452
Base-Backbone interact. energy: 1.357
local terms energy: -157.896949
where:
bonds (distance) C4'-P energy: -25.825
bonds (distance) P-C4' energy: -34.137
flat angles C4'-P-C4' energy: -32.114
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -41.401
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: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -370.812572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.812572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.812572 (E_RNA)
where:
Base-Base interactions energy: -229.304
where: short stacking energy: -113.471
Base-Backbone interact. energy: 2.127
local terms energy: -143.635437
where:
bonds (distance) C4'-P energy: -31.005
bonds (distance) P-C4' energy: -36.901
flat angles C4'-P-C4' energy: -29.110
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -26.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -305.692821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.692821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.692821 (E_RNA)
where:
Base-Base interactions energy: -179.539
where: short stacking energy: -96.739
Base-Backbone interact. energy: -0.206
local terms energy: -125.947403
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -28.480
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -296.226766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.226766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.226766 (E_RNA)
where:
Base-Base interactions energy: -183.784
where: short stacking energy: -80.921
Base-Backbone interact. energy: 2.633
local terms energy: -115.076041
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -10.152
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: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -160.184588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.184588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.184588 (E_RNA)
where:
Base-Base interactions energy: -76.809
where: short stacking energy: -60.593
Base-Backbone interact. energy: -0.757
local terms energy: -82.619357
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -562.625352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.625352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.625352 (E_RNA)
where:
Base-Base interactions energy: -377.960
where: short stacking energy: -200.712
Base-Backbone interact. energy: -0.235
local terms energy: -184.430402
where:
bonds (distance) C4'-P energy: -40.326
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -38.918
flat angles P-C4'-P energy: -24.054
tors. eta vs tors. theta energy: -53.442
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: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -543.215316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.215316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.215316 (E_RNA)
where:
Base-Base interactions energy: -359.034
where: short stacking energy: -170.689
Base-Backbone interact. energy: -0.376
local terms energy: -183.805466
where:
bonds (distance) C4'-P energy: -34.891
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -38.976
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -49.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -501.299674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.299674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.299674 (E_RNA)
where:
Base-Base interactions energy: -338.981
where: short stacking energy: -155.663
Base-Backbone interact. energy: 0.881
local terms energy: -163.199602
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -34.387
flat angles C4'-P-C4' energy: -38.015
flat angles P-C4'-P energy: -26.573
tors. eta vs tors. theta energy: -39.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -512.480333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.480333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.480333 (E_RNA)
where:
Base-Base interactions energy: -333.610
where: short stacking energy: -175.609
Base-Backbone interact. energy: -0.010
local terms energy: -178.860913
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -37.922
flat angles P-C4'-P energy: -29.594
tors. eta vs tors. theta energy: -49.377
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: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -430.916271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.916271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.916271 (E_RNA)
where:
Base-Base interactions energy: -281.506
where: short stacking energy: -136.188
Base-Backbone interact. energy: -0.546
local terms energy: -148.864766
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -35.680
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: -32.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -488.815539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.815539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.815539 (E_RNA)
where:
Base-Base interactions energy: -326.749
where: short stacking energy: -163.904
Base-Backbone interact. energy: -0.137
local terms energy: -161.929644
where:
bonds (distance) C4'-P energy: -35.003
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -44.528
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: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -377.813854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.813854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.813854 (E_RNA)
where:
Base-Base interactions energy: -236.842
where: short stacking energy: -105.465
Base-Backbone interact. energy: -1.194
local terms energy: -139.778143
where:
bonds (distance) C4'-P energy: -32.908
bonds (distance) P-C4' energy: -32.133
flat angles C4'-P-C4' energy: -27.772
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -338.056248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.056248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.056248 (E_RNA)
where:
Base-Base interactions energy: -201.769
where: short stacking energy: -107.458
Base-Backbone interact. energy: 0.595
local terms energy: -136.882334
where:
bonds (distance) C4'-P energy: -31.415
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -29.603
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -22.581
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: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -297.060010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.060010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.060010 (E_RNA)
where:
Base-Base interactions energy: -173.218
where: short stacking energy: -94.561
Base-Backbone interact. energy: 0.379
local terms energy: -124.221014
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -29.794
flat angles P-C4'-P energy: -15.928
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: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -160.834677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.834677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.834677 (E_RNA)
where:
Base-Base interactions energy: -50.609
where: short stacking energy: -50.354
Base-Backbone interact. energy: -0.082
local terms energy: -110.144234
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: 0.476
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: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -552.829132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.829132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.829132 (E_RNA)
where:
Base-Base interactions energy: -363.587
where: short stacking energy: -183.442
Base-Backbone interact. energy: -0.239
local terms energy: -189.002645
where:
bonds (distance) C4'-P energy: -32.235
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -39.822
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -52.644
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: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -525.333658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.333658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.333658 (E_RNA)
where:
Base-Base interactions energy: -351.123
where: short stacking energy: -184.896
Base-Backbone interact. energy: -0.072
local terms energy: -174.138418
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -28.632
flat angles C4'-P-C4' energy: -39.482
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -46.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -514.828792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.828792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.828792 (E_RNA)
where:
Base-Base interactions energy: -346.279
where: short stacking energy: -161.727
Base-Backbone interact. energy: 1.263
local terms energy: -169.812755
where:
bonds (distance) C4'-P energy: -32.010
bonds (distance) P-C4' energy: -32.613
flat angles C4'-P-C4' energy: -39.900
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -43.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -481.636091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.636091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.636091 (E_RNA)
where:
Base-Base interactions energy: -326.600
where: short stacking energy: -148.755
Base-Backbone interact. energy: -0.521
local terms energy: -154.515309
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -36.789
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: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -484.330814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.330814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.330814 (E_RNA)
where:
Base-Base interactions energy: -318.280
where: short stacking energy: -150.591
Base-Backbone interact. energy: -1.326
local terms energy: -164.725699
where:
bonds (distance) C4'-P energy: -29.470
bonds (distance) P-C4' energy: -38.795
flat angles C4'-P-C4' energy: -32.744
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: -38.895
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: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -449.583435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.583435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.583435 (E_RNA)
where:
Base-Base interactions energy: -300.329
where: short stacking energy: -140.375
Base-Backbone interact. energy: 0.294
local terms energy: -149.548314
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -34.029
flat angles C4'-P-C4' energy: -37.199
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -33.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -379.257220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.257220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.257220 (E_RNA)
where:
Base-Base interactions energy: -236.574
where: short stacking energy: -108.326
Base-Backbone interact. energy: -0.975
local terms energy: -141.707753
where:
bonds (distance) C4'-P energy: -29.024
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -34.429
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -23.460
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: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -325.371665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.371665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.371665 (E_RNA)
where:
Base-Base interactions energy: -205.837
where: short stacking energy: -103.838
Base-Backbone interact. energy: -0.451
local terms energy: -119.083477
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -295.132836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.132836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.132836 (E_RNA)
where:
Base-Base interactions energy: -177.987
where: short stacking energy: -83.415
Base-Backbone interact. energy: -0.161
local terms energy: -116.984720
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -161.143310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.143310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.143310 (E_RNA)
where:
Base-Base interactions energy: -61.005
where: short stacking energy: -61.005
Base-Backbone interact. energy: 0.783
local terms energy: -100.921277
where:
bonds (distance) C4'-P energy: -27.053
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -549.104297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.104297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.104297 (E_RNA)
where:
Base-Base interactions energy: -365.998
where: short stacking energy: -173.866
Base-Backbone interact. energy: -0.249
local terms energy: -182.858006
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -33.697
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: -52.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -541.527306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.527306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.527306 (E_RNA)
where:
Base-Base interactions energy: -365.436
where: short stacking energy: -198.553
Base-Backbone interact. energy: -0.071
local terms energy: -176.019648
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -53.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -520.184144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.184144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.184144 (E_RNA)
where:
Base-Base interactions energy: -350.022
where: short stacking energy: -156.937
Base-Backbone interact. energy: -1.708
local terms energy: -168.454292
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -31.504
flat angles C4'-P-C4' energy: -36.618
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -43.347
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: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -515.917379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.917379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.917379 (E_RNA)
where:
Base-Base interactions energy: -346.552
where: short stacking energy: -165.019
Base-Backbone interact. energy: -0.244
local terms energy: -169.121945
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -32.289
flat angles C4'-P-C4' energy: -38.965
flat angles P-C4'-P energy: -26.774
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: 493
Temperature: 1.100000
Total energy: -465.583284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.583284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.583284 (E_RNA)
where:
Base-Base interactions energy: -318.790
where: short stacking energy: -143.696
Base-Backbone interact. energy: -0.320
local terms energy: -146.473217
where:
bonds (distance) C4'-P energy: -25.077
bonds (distance) P-C4' energy: -35.541
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -34.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -403.063075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.063075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.063075 (E_RNA)
where:
Base-Base interactions energy: -264.293
where: short stacking energy: -127.453
Base-Backbone interact. energy: -0.555
local terms energy: -138.215548
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -32.250
flat angles C4'-P-C4' energy: -35.145
flat angles P-C4'-P energy: -18.628
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: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -388.658904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.658904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.658904 (E_RNA)
where:
Base-Base interactions energy: -244.001
where: short stacking energy: -120.824
Base-Backbone interact. energy: 0.012
local terms energy: -144.670069
where:
bonds (distance) C4'-P energy: -33.164
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -36.576
flat angles P-C4'-P energy: -21.421
tors. eta vs tors. theta energy: -29.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -294.683892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.683892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.683892 (E_RNA)
where:
Base-Base interactions energy: -174.867
where: short stacking energy: -80.655
Base-Backbone interact. energy: -0.341
local terms energy: -119.475850
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -33.913
flat angles C4'-P-C4' energy: -29.322
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -11.487
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: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -305.720758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.720758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.720758 (E_RNA)
where:
Base-Base interactions energy: -194.636
where: short stacking energy: -104.416
Base-Backbone interact. energy: -0.845
local terms energy: -110.240469
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -161.223542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.223542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.223542 (E_RNA)
where:
Base-Base interactions energy: -69.504
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.248
local terms energy: -91.471920
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: 0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -563.999576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.999576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.999576 (E_RNA)
where:
Base-Base interactions energy: -375.119
where: short stacking energy: -181.828
Base-Backbone interact. energy: -0.395
local terms energy: -188.485881
where:
bonds (distance) C4'-P energy: -31.449
bonds (distance) P-C4' energy: -35.479
flat angles C4'-P-C4' energy: -43.532
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -52.007
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: 494
Temperature: 0.950000
Total energy: -539.657919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.657919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.657919 (E_RNA)
where:
Base-Base interactions energy: -359.239
where: short stacking energy: -178.747
Base-Backbone interact. energy: -0.002
local terms energy: -180.417302
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -38.565
flat angles C4'-P-C4' energy: -36.069
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -52.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -527.666167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.666167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.666167 (E_RNA)
where:
Base-Base interactions energy: -354.191
where: short stacking energy: -176.921
Base-Backbone interact. energy: -0.242
local terms energy: -173.233154
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -31.743
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -52.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -513.618814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.618814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.618814 (E_RNA)
where:
Base-Base interactions energy: -346.791
where: short stacking energy: -145.710
Base-Backbone interact. energy: -0.895
local terms energy: -165.932717
where:
bonds (distance) C4'-P energy: -36.695
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -33.181
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -34.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -455.888974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.888974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.888974 (E_RNA)
where:
Base-Base interactions energy: -303.849
where: short stacking energy: -137.406
Base-Backbone interact. energy: 1.190
local terms energy: -153.230540
where:
bonds (distance) C4'-P energy: -28.102
bonds (distance) P-C4' energy: -32.488
flat angles C4'-P-C4' energy: -30.805
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -36.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -476.569388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.569388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.569388 (E_RNA)
where:
Base-Base interactions energy: -333.285
where: short stacking energy: -138.765
Base-Backbone interact. energy: -0.546
local terms energy: -142.737759
where:
bonds (distance) C4'-P energy: -26.077
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -32.180
flat angles P-C4'-P energy: -21.022
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: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -313.770040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.770040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.770040 (E_RNA)
where:
Base-Base interactions energy: -188.342
where: short stacking energy: -107.102
Base-Backbone interact. energy: -0.279
local terms energy: -125.148816
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -29.557
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -19.575
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: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -338.030252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.030252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.030252 (E_RNA)
where:
Base-Base interactions energy: -224.125
where: short stacking energy: -95.020
Base-Backbone interact. energy: -0.445
local terms energy: -113.459802
where:
bonds (distance) C4'-P energy: -27.521
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -16.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -286.500504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.500504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.500504 (E_RNA)
where:
Base-Base interactions energy: -179.957
where: short stacking energy: -80.158
Base-Backbone interact. energy: -0.979
local terms energy: -105.563905
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -27.248
flat angles C4'-P-C4' energy: -24.716
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -10.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -162.157174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.157174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.157174 (E_RNA)
where:
Base-Base interactions energy: -70.418
where: short stacking energy: -56.457
Base-Backbone interact. energy: -0.332
local terms energy: -91.407422
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: 2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -565.255474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.255474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.255474 (E_RNA)
where:
Base-Base interactions energy: -367.619
where: short stacking energy: -179.428
Base-Backbone interact. energy: -0.198
local terms energy: -197.438454
where:
bonds (distance) C4'-P energy: -37.720
bonds (distance) P-C4' energy: -35.889
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -49.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -559.591867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.591867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.591867 (E_RNA)
where:
Base-Base interactions energy: -362.851
where: short stacking energy: -189.300
Base-Backbone interact. energy: -0.659
local terms energy: -196.082493
where:
bonds (distance) C4'-P energy: -36.945
bonds (distance) P-C4' energy: -37.417
flat angles C4'-P-C4' energy: -39.647
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: -51.825
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: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -513.462116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.462116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.462116 (E_RNA)
where:
Base-Base interactions energy: -336.389
where: short stacking energy: -159.425
Base-Backbone interact. energy: -0.407
local terms energy: -176.665597
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -35.258
flat angles C4'-P-C4' energy: -41.077
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -41.975
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: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -475.326603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.326603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.326603 (E_RNA)
where:
Base-Base interactions energy: -311.350
where: short stacking energy: -143.879
Base-Backbone interact. energy: -0.751
local terms energy: -163.225550
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -36.815
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -35.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -483.578679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.578679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.578679 (E_RNA)
where:
Base-Base interactions energy: -325.441
where: short stacking energy: -141.291
Base-Backbone interact. energy: -0.836
local terms energy: -157.301869
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -26.313
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: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -474.778972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.778972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.778972 (E_RNA)
where:
Base-Base interactions energy: -328.934
where: short stacking energy: -143.587
Base-Backbone interact. energy: -1.734
local terms energy: -144.111191
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -33.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -336.406489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.406489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.406489 (E_RNA)
where:
Base-Base interactions energy: -215.051
where: short stacking energy: -117.358
Base-Backbone interact. energy: 0.551
local terms energy: -121.906379
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -30.780
flat angles C4'-P-C4' energy: -24.887
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -336.306836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.306836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.306836 (E_RNA)
where:
Base-Base interactions energy: -206.211
where: short stacking energy: -118.164
Base-Backbone interact. energy: -0.666
local terms energy: -129.430215
where:
bonds (distance) C4'-P energy: -34.708
bonds (distance) P-C4' energy: -28.430
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -296.034598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.034598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.034598 (E_RNA)
where:
Base-Base interactions energy: -197.126
where: short stacking energy: -85.450
Base-Backbone interact. energy: 0.274
local terms energy: -99.182612
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -35.778
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -150.166003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.166003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.166003 (E_RNA)
where:
Base-Base interactions energy: -60.432
where: short stacking energy: -38.940
Base-Backbone interact. energy: 1.087
local terms energy: -90.821234
where:
bonds (distance) C4'-P energy: -29.307
bonds (distance) P-C4' energy: -34.649
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: 10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -552.843496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.843496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.843496 (E_RNA)
where:
Base-Base interactions energy: -356.289
where: short stacking energy: -172.393
Base-Backbone interact. energy: -0.070
local terms energy: -196.484431
where:
bonds (distance) C4'-P energy: -37.011
bonds (distance) P-C4' energy: -37.675
flat angles C4'-P-C4' energy: -38.862
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -50.284
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: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -549.865562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.865562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.865562 (E_RNA)
where:
Base-Base interactions energy: -362.421
where: short stacking energy: -186.515
Base-Backbone interact. energy: -0.035
local terms energy: -187.410486
where:
bonds (distance) C4'-P energy: -30.110
bonds (distance) P-C4' energy: -32.610
flat angles C4'-P-C4' energy: -40.359
flat angles P-C4'-P energy: -28.102
tors. eta vs tors. theta energy: -56.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -504.935614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.935614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.935614 (E_RNA)
where:
Base-Base interactions energy: -333.385
where: short stacking energy: -150.544
Base-Backbone interact. energy: -0.880
local terms energy: -170.670893
where:
bonds (distance) C4'-P energy: -32.165
bonds (distance) P-C4' energy: -34.124
flat angles C4'-P-C4' energy: -40.595
flat angles P-C4'-P energy: -26.951
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: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -512.262939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.262939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.262939 (E_RNA)
where:
Base-Base interactions energy: -330.496
where: short stacking energy: -171.187
Base-Backbone interact. energy: -0.026
local terms energy: -181.741216
where:
bonds (distance) C4'-P energy: -31.358
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -48.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -480.978904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.978904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.978904 (E_RNA)
where:
Base-Base interactions energy: -318.053
where: short stacking energy: -138.772
Base-Backbone interact. energy: 0.458
local terms energy: -163.384708
where:
bonds (distance) C4'-P energy: -32.076
bonds (distance) P-C4' energy: -34.335
flat angles C4'-P-C4' energy: -35.725
flat angles P-C4'-P energy: -24.413
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: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -459.230063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.230063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.230063 (E_RNA)
where:
Base-Base interactions energy: -304.119
where: short stacking energy: -144.970
Base-Backbone interact. energy: -0.273
local terms energy: -154.838074
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -39.292
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -20.142
tors. eta vs tors. theta energy: -37.934
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: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -339.099013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.099013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.099013 (E_RNA)
where:
Base-Base interactions energy: -208.934
where: short stacking energy: -110.350
Base-Backbone interact. energy: -0.238
local terms energy: -129.926538
where:
bonds (distance) C4'-P energy: -29.323
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -25.691
tors. eta vs tors. theta energy: -27.800
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: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -353.709571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.709571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.709571 (E_RNA)
where:
Base-Base interactions energy: -224.567
where: short stacking energy: -99.414
Base-Backbone interact. energy: -1.299
local terms energy: -127.843557
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -30.496
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: -16.329
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: 496
Temperature: 1.300000
Total energy: -313.271117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.271117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.271117 (E_RNA)
where:
Base-Base interactions energy: -179.568
where: short stacking energy: -91.432
Base-Backbone interact. energy: -0.251
local terms energy: -133.452108
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -36.622
flat angles C4'-P-C4' energy: -33.897
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -16.891
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: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -172.158135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.158135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.158135 (E_RNA)
where:
Base-Base interactions energy: -63.725
where: short stacking energy: -32.939
Base-Backbone interact. energy: -0.141
local terms energy: -108.292017
where:
bonds (distance) C4'-P energy: -29.894
bonds (distance) P-C4' energy: -33.714
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: 9.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -576.831801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.831801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.831801 (E_RNA)
where:
Base-Base interactions energy: -382.869
where: short stacking energy: -190.007
Base-Backbone interact. energy: -0.186
local terms energy: -193.777404
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -52.958
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: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -551.503424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.503424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.503424 (E_RNA)
where:
Base-Base interactions energy: -362.007
where: short stacking energy: -186.138
Base-Backbone interact. energy: -0.581
local terms energy: -188.916097
where:
bonds (distance) C4'-P energy: -32.738
bonds (distance) P-C4' energy: -35.632
flat angles C4'-P-C4' energy: -40.342
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: -53.381
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: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -478.645820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.645820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.645820 (E_RNA)
where:
Base-Base interactions energy: -311.868
where: short stacking energy: -149.584
Base-Backbone interact. energy: -0.529
local terms energy: -166.248137
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -25.898
tors. eta vs tors. theta energy: -40.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -493.006067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.006067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.006067 (E_RNA)
where:
Base-Base interactions energy: -336.670
where: short stacking energy: -150.849
Base-Backbone interact. energy: 0.958
local terms energy: -157.293519
where:
bonds (distance) C4'-P energy: -32.987
bonds (distance) P-C4' energy: -32.200
flat angles C4'-P-C4' energy: -35.018
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -36.130
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: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -490.384314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.384314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.384314 (E_RNA)
where:
Base-Base interactions energy: -336.807
where: short stacking energy: -164.212
Base-Backbone interact. energy: -0.453
local terms energy: -153.124141
where:
bonds (distance) C4'-P energy: -30.536
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -39.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -471.880185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.880185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.880185 (E_RNA)
where:
Base-Base interactions energy: -325.297
where: short stacking energy: -154.463
Base-Backbone interact. energy: -0.513
local terms energy: -146.070894
where:
bonds (distance) C4'-P energy: -24.742
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -32.133
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -37.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -322.426508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.426508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.426508 (E_RNA)
where:
Base-Base interactions energy: -192.784
where: short stacking energy: -100.488
Base-Backbone interact. energy: 0.419
local terms energy: -130.061952
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -32.513
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -353.389121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.389121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.389121 (E_RNA)
where:
Base-Base interactions energy: -221.208
where: short stacking energy: -99.380
Base-Backbone interact. energy: -0.550
local terms energy: -131.631231
where:
bonds (distance) C4'-P energy: -31.392
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -27.691
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -308.081585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.081585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.081585 (E_RNA)
where:
Base-Base interactions energy: -195.306
where: short stacking energy: -94.454
Base-Backbone interact. energy: -0.453
local terms energy: -112.322976
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -28.556
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -165.031746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.031746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.031746 (E_RNA)
where:
Base-Base interactions energy: -59.179
where: short stacking energy: -59.013
Base-Backbone interact. energy: -0.135
local terms energy: -105.718216
where:
bonds (distance) C4'-P energy: -32.812
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -547.997764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.997764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.997764 (E_RNA)
where:
Base-Base interactions energy: -366.463
where: short stacking energy: -179.364
Base-Backbone interact. energy: -0.598
local terms energy: -180.937549
where:
bonds (distance) C4'-P energy: -34.692
bonds (distance) P-C4' energy: -36.031
flat angles C4'-P-C4' energy: -37.603
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -47.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -562.271417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.271417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.271417 (E_RNA)
where:
Base-Base interactions energy: -374.918
where: short stacking energy: -193.729
Base-Backbone interact. energy: -0.387
local terms energy: -186.966340
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -36.940
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -57.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -526.104026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.104026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.104026 (E_RNA)
where:
Base-Base interactions energy: -351.718
where: short stacking energy: -167.658
Base-Backbone interact. energy: 0.423
local terms energy: -174.809077
where:
bonds (distance) C4'-P energy: -30.606
bonds (distance) P-C4' energy: -40.441
flat angles C4'-P-C4' energy: -37.598
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -45.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -482.960216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.960216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.960216 (E_RNA)
where:
Base-Base interactions energy: -322.149
where: short stacking energy: -146.466
Base-Backbone interact. energy: 1.562
local terms energy: -162.373646
where:
bonds (distance) C4'-P energy: -34.019
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -32.685
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -36.757
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: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -491.570432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.570432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.570432 (E_RNA)
where:
Base-Base interactions energy: -324.247
where: short stacking energy: -153.274
Base-Backbone interact. energy: -0.885
local terms energy: -166.437839
where:
bonds (distance) C4'-P energy: -31.910
bonds (distance) P-C4' energy: -34.582
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -41.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -459.106600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.106600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.106600 (E_RNA)
where:
Base-Base interactions energy: -296.557
where: short stacking energy: -141.365
Base-Backbone interact. energy: -0.434
local terms energy: -162.115152
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -39.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -362.942800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.942800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.942800 (E_RNA)
where:
Base-Base interactions energy: -239.352
where: short stacking energy: -111.057
Base-Backbone interact. energy: 0.638
local terms energy: -124.228878
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -32.609
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -20.646
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: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -298.014699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.014699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.014699 (E_RNA)
where:
Base-Base interactions energy: -181.246
where: short stacking energy: -78.129
Base-Backbone interact. energy: -0.521
local terms energy: -116.247177
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -26.796
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -5.914
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: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -302.365112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.365112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.365112 (E_RNA)
where:
Base-Base interactions energy: -179.448
where: short stacking energy: -90.214
Base-Backbone interact. energy: -0.867
local terms energy: -122.050196
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -30.078
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -160.080077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.080077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.080077 (E_RNA)
where:
Base-Base interactions energy: -64.222
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.774
local terms energy: -95.083915
where:
bonds (distance) C4'-P energy: -25.017
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -1.432
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: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -559.845039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.845039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.845039 (E_RNA)
where:
Base-Base interactions energy: -375.107
where: short stacking energy: -195.520
Base-Backbone interact. energy: -0.112
local terms energy: -184.626527
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -29.888
flat angles C4'-P-C4' energy: -41.860
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -52.506
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: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -559.503563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.503563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.503563 (E_RNA)
where:
Base-Base interactions energy: -371.526
where: short stacking energy: -183.977
Base-Backbone interact. energy: -0.780
local terms energy: -187.197115
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -39.338
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -21.473
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: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -515.872291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.872291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.872291 (E_RNA)
where:
Base-Base interactions energy: -342.957
where: short stacking energy: -157.924
Base-Backbone interact. energy: -0.413
local terms energy: -172.502508
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -37.985
flat angles C4'-P-C4' energy: -32.095
flat angles P-C4'-P energy: -27.041
tors. eta vs tors. theta energy: -43.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -535.070405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.070405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.070405 (E_RNA)
where:
Base-Base interactions energy: -367.134
where: short stacking energy: -176.098
Base-Backbone interact. energy: -0.056
local terms energy: -167.880595
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -29.518
flat angles C4'-P-C4' energy: -35.463
flat angles P-C4'-P energy: -25.777
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -433.406880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.406880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.406880 (E_RNA)
where:
Base-Base interactions energy: -280.975
where: short stacking energy: -116.573
Base-Backbone interact. energy: -1.332
local terms energy: -151.099700
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -31.943
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -27.699
tors. eta vs tors. theta energy: -28.027
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: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -456.034983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.034983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.034983 (E_RNA)
where:
Base-Base interactions energy: -308.279
where: short stacking energy: -146.184
Base-Backbone interact. energy: 2.558
local terms energy: -150.314672
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -31.293
flat angles C4'-P-C4' energy: -34.020
flat angles P-C4'-P energy: -16.699
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: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -378.336784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.336784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.336784 (E_RNA)
where:
Base-Base interactions energy: -243.699
where: short stacking energy: -115.908
Base-Backbone interact. energy: -0.221
local terms energy: -134.417216
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -30.406
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -21.482
tors. eta vs tors. theta energy: -24.148
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: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -339.871655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.871655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.871655 (E_RNA)
where:
Base-Base interactions energy: -196.712
where: short stacking energy: -94.533
Base-Backbone interact. energy: -0.504
local terms energy: -142.655695
where:
bonds (distance) C4'-P energy: -33.658
bonds (distance) P-C4' energy: -28.101
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -26.342
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: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -319.014418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.014418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.014418 (E_RNA)
where:
Base-Base interactions energy: -197.432
where: short stacking energy: -98.408
Base-Backbone interact. energy: -0.884
local terms energy: -120.698244
where:
bonds (distance) C4'-P energy: -28.701
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -30.306
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -17.143
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: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -169.124010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.124010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.124010 (E_RNA)
where:
Base-Base interactions energy: -77.307
where: short stacking energy: -44.859
Base-Backbone interact. energy: 5.754
local terms energy: -97.570872
where:
bonds (distance) C4'-P energy: -36.374
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: 11.062
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: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -585.944166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.944166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.944166 (E_RNA)
where:
Base-Base interactions energy: -391.875
where: short stacking energy: -192.776
Base-Backbone interact. energy: -0.068
local terms energy: -194.001349
where:
bonds (distance) C4'-P energy: -29.507
bonds (distance) P-C4' energy: -40.041
flat angles C4'-P-C4' energy: -40.639
flat angles P-C4'-P energy: -26.647
tors. eta vs tors. theta energy: -57.168
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: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -532.937630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.937630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.937630 (E_RNA)
where:
Base-Base interactions energy: -347.661
where: short stacking energy: -185.797
Base-Backbone interact. energy: -0.011
local terms energy: -185.265288
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -40.806
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: -53.662
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: 500
Temperature: 1.000000
Total energy: -507.007502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.007502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.007502 (E_RNA)
where:
Base-Base interactions energy: -348.985
where: short stacking energy: -163.883
Base-Backbone interact. energy: -0.539
local terms energy: -157.483404
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -37.287
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: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -515.879155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.879155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.879155 (E_RNA)
where:
Base-Base interactions energy: -343.609
where: short stacking energy: -176.364
Base-Backbone interact. energy: -0.825
local terms energy: -171.444843
where:
bonds (distance) C4'-P energy: -33.617
bonds (distance) P-C4' energy: -38.018
flat angles C4'-P-C4' energy: -33.594
flat angles P-C4'-P energy: -18.072
tors. eta vs tors. theta energy: -48.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -505.806925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.806925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.806925 (E_RNA)
where:
Base-Base interactions energy: -347.244
where: short stacking energy: -163.147
Base-Backbone interact. energy: -0.500
local terms energy: -158.062605
where:
bonds (distance) C4'-P energy: -34.119
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -32.411
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -41.637
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: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -420.681166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.681166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.681166 (E_RNA)
where:
Base-Base interactions energy: -285.024
where: short stacking energy: -134.469
Base-Backbone interact. energy: -0.263
local terms energy: -135.394176
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -31.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -391.628716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.628716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.628716 (E_RNA)
where:
Base-Base interactions energy: -250.450
where: short stacking energy: -122.741
Base-Backbone interact. energy: -1.215
local terms energy: -139.964385
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -27.040
tors. eta vs tors. theta energy: -26.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -383.488950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.488950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.488950 (E_RNA)
where:
Base-Base interactions energy: -236.110
where: short stacking energy: -119.531
Base-Backbone interact. energy: -0.288
local terms energy: -147.090920
where:
bonds (distance) C4'-P energy: -33.251
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: -27.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -224.647202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.647202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.647202 (E_RNA)
where:
Base-Base interactions energy: -115.610
where: short stacking energy: -59.045
Base-Backbone interact. energy: -1.048
local terms energy: -107.989381
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -27.985
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -7.264
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: 500
Temperature: 1.350000
Total energy: -267.793393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.793393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.793393 (E_RNA)
where:
Base-Base interactions energy: -171.177
where: short stacking energy: -78.079
Base-Backbone interact. energy: 5.328
local terms energy: -101.944985
where:
bonds (distance) C4'-P energy: -29.083
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -25.766
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -14.490
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: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -574.530057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.530057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.530057 (E_RNA)
where:
Base-Base interactions energy: -374.468
where: short stacking energy: -187.987
Base-Backbone interact. energy: -0.159
local terms energy: -199.903173
where:
bonds (distance) C4'-P energy: -36.995
bonds (distance) P-C4' energy: -37.178
flat angles C4'-P-C4' energy: -39.680
flat angles P-C4'-P energy: -32.761
tors. eta vs tors. theta energy: -53.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -547.387755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.387755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.387755 (E_RNA)
where:
Base-Base interactions energy: -368.877
where: short stacking energy: -179.332
Base-Backbone interact. energy: -0.014
local terms energy: -178.496822
where:
bonds (distance) C4'-P energy: -30.325
bonds (distance) P-C4' energy: -32.366
flat angles C4'-P-C4' energy: -36.279
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -54.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -494.948352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.948352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.948352 (E_RNA)
where:
Base-Base interactions energy: -335.117
where: short stacking energy: -147.810
Base-Backbone interact. energy: 3.240
local terms energy: -163.070583
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -29.265
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -34.948
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: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -519.686663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.686663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.686663 (E_RNA)
where:
Base-Base interactions energy: -350.993
where: short stacking energy: -164.910
Base-Backbone interact. energy: -0.346
local terms energy: -168.347032
where:
bonds (distance) C4'-P energy: -31.080
bonds (distance) P-C4' energy: -33.936
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -45.274
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: 501
Temperature: 1.100000
Total energy: -507.671341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.671341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.671341 (E_RNA)
where:
Base-Base interactions energy: -339.134
where: short stacking energy: -170.557
Base-Backbone interact. energy: -0.179
local terms energy: -168.358986
where:
bonds (distance) C4'-P energy: -27.226
bonds (distance) P-C4' energy: -35.795
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -24.875
tors. eta vs tors. theta energy: -42.847
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: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -443.687928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.687928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.687928 (E_RNA)
where:
Base-Base interactions energy: -297.522
where: short stacking energy: -130.234
Base-Backbone interact. energy: -1.200
local terms energy: -144.966058
where:
bonds (distance) C4'-P energy: -34.051
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -32.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -332.124058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.124058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.124058 (E_RNA)
where:
Base-Base interactions energy: -203.720
where: short stacking energy: -104.949
Base-Backbone interact. energy: -1.605
local terms energy: -126.798906
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -30.909
flat angles C4'-P-C4' energy: -34.421
flat angles P-C4'-P energy: -25.395
tors. eta vs tors. theta energy: -15.717
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: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -333.698466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.698466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.698466 (E_RNA)
where:
Base-Base interactions energy: -190.653
where: short stacking energy: -99.772
Base-Backbone interact. energy: 0.318
local terms energy: -143.363208
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -37.262
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -235.730715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.730715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.730715 (E_RNA)
where:
Base-Base interactions energy: -115.532
where: short stacking energy: -58.465
Base-Backbone interact. energy: -0.486
local terms energy: -119.712420
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -34.812
flat angles C4'-P-C4' energy: -28.221
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -223.737635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.737635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.737635 (E_RNA)
where:
Base-Base interactions energy: -108.879
where: short stacking energy: -77.810
Base-Backbone interact. energy: 1.271
local terms energy: -116.130073
where:
bonds (distance) C4'-P energy: -30.413
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -26.149
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -14.771
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 29621854
moves confirmed later: 32505328
all moves confirmed: 62127182
percent of confirmed moves: 7.765898
current total energy: -531.060885
recalc. total energy: -531.060885
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 36381234
moves confirmed later: 41696285
all moves confirmed: 78077519
percent of confirmed moves: 9.759690
current total energy: -475.680320
recalc. total energy: -475.680320
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 29556939
moves confirmed later: 32705519
all moves confirmed: 62262458
percent of confirmed moves: 7.782807
current total energy: -427.003696
recalc. total energy: -427.003696
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 45270146
moves confirmed later: 54115610
all moves confirmed: 99385756
percent of confirmed moves: 12.423220
current total energy: -421.730692
recalc. total energy: -421.730692
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 44308715
moves confirmed later: 52674721
all moves confirmed: 96983436
percent of confirmed moves: 12.122929
current total energy: -456.443332
recalc. total energy: -456.443332
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 33227430
moves confirmed later: 37581567
all moves confirmed: 70808997
percent of confirmed moves: 8.851125
current total energy: -361.693782
recalc. total energy: -361.693782
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 48604522
moves confirmed later: 58609127
all moves confirmed: 107213649
percent of confirmed moves: 13.401706
current total energy: -255.271042
recalc. total energy: -255.271042
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 35191807
moves confirmed later: 40302357
all moves confirmed: 75494164
percent of confirmed moves: 9.436770
current total energy: -253.553104
recalc. total energy: -253.553104
replica 1 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 51381442
moves confirmed later: 62382651
all moves confirmed: 113764093
percent of confirmed moves: 14.220512
current total energy: -152.600247
recalc. total energy: -152.600247
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 48916329
moves confirmed later: 59150206
all moves confirmed: 108066535
percent of confirmed moves: 13.508317
current total energy: -133.573724
recalc. total energy: -133.573724
out arg RESULTS//1/Test-29a205ef_01
Time of doing 8000000 iterations: 6849.655 seconds