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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/118-VP1-700cb3bf/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/118-VP1-700cb3bf/inputs/seq.fa: 1
curr_seq: _GCGGAUAUUUGCGGCCUGUUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GCGGAUAUUUGCGGCCUGUUU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -80.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.187385 (E_RNA)
where:
Base-Base interactions energy: -2.005
where: short stacking energy: -2.005
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -129.690041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.690041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.690041 (E_RNA)
where:
Base-Base interactions energy: -59.827
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.001
local terms energy: -69.861567
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -135.722116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.722116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.722116 (E_RNA)
where:
Base-Base interactions energy: -63.133
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.598
local terms energy: -71.991210
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -149.055503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.055503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.055503 (E_RNA)
where:
Base-Base interactions energy: -86.155
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.203
local terms energy: -62.697128
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -111.664554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.664554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.664554 (E_RNA)
where:
Base-Base interactions energy: -54.169
where: short stacking energy: -50.977
Base-Backbone interact. energy: -0.017
local terms energy: -57.478458
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -107.986605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.986605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.986605 (E_RNA)
where:
Base-Base interactions energy: -45.676
where: short stacking energy: -42.604
Base-Backbone interact. energy: -0.087
local terms energy: -62.224274
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -11.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -96.406142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.406142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.406142 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -42.583
Base-Backbone interact. energy: -0.100
local terms energy: -53.722966
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -86.154261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.154261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.154261 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -29.323
Base-Backbone interact. energy: -0.059
local terms energy: -54.191540
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -7.601
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -92.952959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.952959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.952959 (E_RNA)
where:
Base-Base interactions energy: -37.962
where: short stacking energy: -33.876
Base-Backbone interact. energy: -0.085
local terms energy: -54.906188
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -9.107
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -90.952059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.952059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.952059 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.361
local terms energy: -55.424339
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -92.912894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.912894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.912894 (E_RNA)
where:
Base-Base interactions energy: -35.696
where: short stacking energy: -35.779
Base-Backbone interact. energy: -0.337
local terms energy: -56.880209
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -8.064
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -117.721638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.721638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.721638 (E_RNA)
where:
Base-Base interactions energy: -55.519
where: short stacking energy: -55.519
Base-Backbone interact. energy: -0.063
local terms energy: -62.139241
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -9.595
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -167.562597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.562597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.562597 (E_RNA)
where:
Base-Base interactions energy: -96.221
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.216
local terms energy: -71.125671
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -130.437116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.437116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.437116 (E_RNA)
where:
Base-Base interactions energy: -58.168
where: short stacking energy: -58.168
Base-Backbone interact. energy: -0.055
local terms energy: -72.214873
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -110.397176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.397176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.397176 (E_RNA)
where:
Base-Base interactions energy: -49.702
where: short stacking energy: -38.424
Base-Backbone interact. energy: -0.096
local terms energy: -60.599296
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -116.491927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.491927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.491927 (E_RNA)
where:
Base-Base interactions energy: -57.949
where: short stacking energy: -38.882
Base-Backbone interact. energy: -0.042
local terms energy: -58.500792
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -9.620
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -87.750109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.750109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.750109 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -32.700
Base-Backbone interact. energy: -0.277
local terms energy: -52.937575
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -6.386
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -123.982997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.982997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.982997 (E_RNA)
where:
Base-Base interactions energy: -66.426
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.132
local terms energy: -57.424549
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -85.930055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.930055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.930055 (E_RNA)
where:
Base-Base interactions energy: -34.744
where: short stacking energy: -28.680
Base-Backbone interact. energy: -0.194
local terms energy: -50.991919
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -6.649
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: 3
Temperature: 1.300000
Total energy: -73.567635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.567635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.567635 (E_RNA)
where:
Base-Base interactions energy: -22.173
where: short stacking energy: -20.853
Base-Backbone interact. energy: -0.094
local terms energy: -51.300675
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -78.548026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.548026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.548026 (E_RNA)
where:
Base-Base interactions energy: -32.115
where: short stacking energy: -30.121
Base-Backbone interact. energy: -0.188
local terms energy: -46.245082
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -182.480803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.480803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.480803 (E_RNA)
where:
Base-Base interactions energy: -111.352
where: short stacking energy: -66.877
Base-Backbone interact. energy: -0.059
local terms energy: -71.070568
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -122.474392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.474392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.474392 (E_RNA)
where:
Base-Base interactions energy: -57.789
where: short stacking energy: -45.355
Base-Backbone interact. energy: -0.091
local terms energy: -64.594231
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -8.050
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -111.288324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.288324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.288324 (E_RNA)
where:
Base-Base interactions energy: -49.339
where: short stacking energy: -44.463
Base-Backbone interact. energy: 0.126
local terms energy: -62.075126
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -4.035
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: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -117.614040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.614040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.614040 (E_RNA)
where:
Base-Base interactions energy: -51.814
where: short stacking energy: -51.814
Base-Backbone interact. energy: -0.195
local terms energy: -65.605961
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -17.147
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: 4
Temperature: 1.100000
Total energy: -121.770501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.770501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.770501 (E_RNA)
where:
Base-Base interactions energy: -55.697
where: short stacking energy: -54.291
Base-Backbone interact. energy: -0.127
local terms energy: -65.946856
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -83.236571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.236571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.236571 (E_RNA)
where:
Base-Base interactions energy: -36.967
where: short stacking energy: -31.520
Base-Backbone interact. energy: -0.266
local terms energy: -46.003583
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -150.351405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.351405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.351405 (E_RNA)
where:
Base-Base interactions energy: -92.383
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.113
local terms energy: -57.856117
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -8.512
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -9.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -85.611347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.611347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.611347 (E_RNA)
where:
Base-Base interactions energy: -39.230
where: short stacking energy: -38.362
Base-Backbone interact. energy: -0.028
local terms energy: -46.353554
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -5.365
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: 4
Temperature: 1.300000
Total energy: -88.038175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.038175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.038175 (E_RNA)
where:
Base-Base interactions energy: -37.519
where: short stacking energy: -33.385
Base-Backbone interact. energy: -0.156
local terms energy: -50.363756
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -79.357826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.357826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.357826 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -28.435
Base-Backbone interact. energy: -0.310
local terms energy: -47.587560
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -180.066914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.066914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.066914 (E_RNA)
where:
Base-Base interactions energy: -109.413
where: short stacking energy: -64.482
Base-Backbone interact. energy: -0.042
local terms energy: -70.612375
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -16.531
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: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -120.449919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.449919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.449919 (E_RNA)
where:
Base-Base interactions energy: -59.535
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.173
local terms energy: -60.742497
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -113.657418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.657418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.657418 (E_RNA)
where:
Base-Base interactions energy: -52.344
where: short stacking energy: -38.764
Base-Backbone interact. energy: -0.031
local terms energy: -61.282817
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -116.773246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.773246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.773246 (E_RNA)
where:
Base-Base interactions energy: -66.949
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.342
local terms energy: -49.482696
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -2.270
tors. eta vs tors. theta energy: -2.454
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: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -111.018892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.018892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.018892 (E_RNA)
where:
Base-Base interactions energy: -48.946
where: short stacking energy: -39.966
Base-Backbone interact. energy: -0.748
local terms energy: -61.324967
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -9.623
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -166.605118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.605118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.605118 (E_RNA)
where:
Base-Base interactions energy: -113.383
where: short stacking energy: -44.370
Base-Backbone interact. energy: -0.479
local terms energy: -52.742526
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -93.773627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.773627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.773627 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -37.500
Base-Backbone interact. energy: -0.025
local terms energy: -52.872754
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -7.290
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -79.533560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.533560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.533560 (E_RNA)
where:
Base-Base interactions energy: -25.163
where: short stacking energy: -25.163
Base-Backbone interact. energy: 0.045
local terms energy: -54.416240
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -78.855485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.855485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.855485 (E_RNA)
where:
Base-Base interactions energy: -27.399
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.138
local terms energy: -51.318749
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -0.941
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -79.957828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.957828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.957828 (E_RNA)
where:
Base-Base interactions energy: -29.039
where: short stacking energy: -29.039
Base-Backbone interact. energy: -0.127
local terms energy: -50.791905
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: 4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -168.587591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.587591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.587591 (E_RNA)
where:
Base-Base interactions energy: -110.948
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.015
local terms energy: -57.624209
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -6.691
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: 2, replica: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -128.771038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.771038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.771038 (E_RNA)
where:
Base-Base interactions energy: -65.368
where: short stacking energy: -49.481
Base-Backbone interact. energy: -0.101
local terms energy: -63.301988
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -128.310880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.310880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.310880 (E_RNA)
where:
Base-Base interactions energy: -70.239
where: short stacking energy: -36.180
Base-Backbone interact. energy: -0.076
local terms energy: -57.996340
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -7.210
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: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -105.136735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.136735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.136735 (E_RNA)
where:
Base-Base interactions energy: -45.302
where: short stacking energy: -41.609
Base-Backbone interact. energy: 0.257
local terms energy: -60.091104
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -5.051
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: 6
Temperature: 1.100000
Total energy: -182.528136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.528136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.528136 (E_RNA)
where:
Base-Base interactions energy: -127.777
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.002
local terms energy: -54.748994
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -2.912
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -102.969225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.969225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.969225 (E_RNA)
where:
Base-Base interactions energy: -42.677
where: short stacking energy: -32.224
Base-Backbone interact. energy: -0.361
local terms energy: -59.931405
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -91.814591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.814591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.814591 (E_RNA)
where:
Base-Base interactions energy: -38.263
where: short stacking energy: -37.106
Base-Backbone interact. energy: -0.146
local terms energy: -53.406326
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -3.329
tors. eta vs tors. theta energy: -5.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -89.282697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.282697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.282697 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -30.722
Base-Backbone interact. energy: 0.559
local terms energy: -57.279246
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -78.100099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.100099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.100099 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -24.704
Base-Backbone interact. energy: -0.030
local terms energy: -48.218614
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -3.884
tors. eta vs tors. theta energy: -1.638
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: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -75.355457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.355457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.355457 (E_RNA)
where:
Base-Base interactions energy: -26.985
where: short stacking energy: -22.068
Base-Backbone interact. energy: -0.018
local terms energy: -48.352672
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -5.337
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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -175.260873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.260873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.260873 (E_RNA)
where:
Base-Base interactions energy: -100.821
where: short stacking energy: -73.382
Base-Backbone interact. energy: -0.041
local terms energy: -74.398885
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -17.703
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: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -144.841439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.841439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.841439 (E_RNA)
where:
Base-Base interactions energy: -73.218
where: short stacking energy: -52.804
Base-Backbone interact. energy: -0.500
local terms energy: -71.123516
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -126.079045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.079045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.079045 (E_RNA)
where:
Base-Base interactions energy: -63.718
where: short stacking energy: -41.506
Base-Backbone interact. energy: -0.269
local terms energy: -62.092781
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.465
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: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -184.516247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.516247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.516247 (E_RNA)
where:
Base-Base interactions energy: -124.452
where: short stacking energy: -54.397
Base-Backbone interact. energy: 1.339
local terms energy: -61.403047
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -11.239
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: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -98.647187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.647187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.647187 (E_RNA)
where:
Base-Base interactions energy: -40.130
where: short stacking energy: -32.535
Base-Backbone interact. energy: 0.099
local terms energy: -58.616251
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -112.067657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.067657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.067657 (E_RNA)
where:
Base-Base interactions energy: -54.390
where: short stacking energy: -48.153
Base-Backbone interact. energy: -0.009
local terms energy: -57.669338
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -94.706591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.706591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.706591 (E_RNA)
where:
Base-Base interactions energy: -41.110
where: short stacking energy: -41.110
Base-Backbone interact. energy: -0.264
local terms energy: -53.332933
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -7.763
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -92.642270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.642270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.642270 (E_RNA)
where:
Base-Base interactions energy: -37.244
where: short stacking energy: -37.244
Base-Backbone interact. energy: -0.053
local terms energy: -55.345358
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -84.229472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.229472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.229472 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -32.940
Base-Backbone interact. energy: 0.570
local terms energy: -46.652474
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -3.795
tors. eta vs tors. theta energy: -4.663
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -75.323273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.323273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.323273 (E_RNA)
where:
Base-Base interactions energy: -30.501
where: short stacking energy: -27.518
Base-Backbone interact. energy: -0.839
local terms energy: -43.982810
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -3.499
tors. eta vs tors. theta energy: -0.222
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: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -185.920965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.920965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.920965 (E_RNA)
where:
Base-Base interactions energy: -115.478
where: short stacking energy: -67.513
Base-Backbone interact. energy: 0.091
local terms energy: -70.534044
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -16.794
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: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -131.114572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.114572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.114572 (E_RNA)
where:
Base-Base interactions energy: -67.956
where: short stacking energy: -44.267
Base-Backbone interact. energy: -0.077
local terms energy: -63.081584
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -10.278
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: 8
Temperature: 1.000000
Total energy: -175.450115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.450115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.450115 (E_RNA)
where:
Base-Base interactions energy: -106.417
where: short stacking energy: -62.023
Base-Backbone interact. energy: 0.918
local terms energy: -69.951084
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -129.493485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.493485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.493485 (E_RNA)
where:
Base-Base interactions energy: -68.969
where: short stacking energy: -43.838
Base-Backbone interact. energy: -0.116
local terms energy: -60.408716
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -5.574
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: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -92.943498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.943498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.943498 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -42.429
Base-Backbone interact. energy: -0.298
local terms energy: -50.469969
where:
bonds (distance) C4'-P energy: -8.453
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: -8.862
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: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -94.694561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.694561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.694561 (E_RNA)
where:
Base-Base interactions energy: -35.972
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.031
local terms energy: -58.691815
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -8.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -82.845646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.845646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.845646 (E_RNA)
where:
Base-Base interactions energy: -26.634
where: short stacking energy: -26.634
Base-Backbone interact. energy: -0.052
local terms energy: -56.159818
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -92.734123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.734123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.734123 (E_RNA)
where:
Base-Base interactions energy: -53.313
where: short stacking energy: -48.385
Base-Backbone interact. energy: -0.021
local terms energy: -39.399240
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -73.837544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.837544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.837544 (E_RNA)
where:
Base-Base interactions energy: -22.696
where: short stacking energy: -17.439
Base-Backbone interact. energy: -0.441
local terms energy: -50.700105
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -70.204517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.204517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.204517 (E_RNA)
where:
Base-Base interactions energy: -27.859
where: short stacking energy: -27.722
Base-Backbone interact. energy: -0.302
local terms energy: -42.043797
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -190.328058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.328058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.328058 (E_RNA)
where:
Base-Base interactions energy: -116.688
where: short stacking energy: -73.996
Base-Backbone interact. energy: -0.180
local terms energy: -73.460050
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -20.985
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: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -204.259085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.259085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.259085 (E_RNA)
where:
Base-Base interactions energy: -127.108
where: short stacking energy: -61.748
Base-Backbone interact. energy: 0.613
local terms energy: -77.764118
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -15.954
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: 9
Temperature: 1.000000
Total energy: -117.000342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.000342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.000342 (E_RNA)
where:
Base-Base interactions energy: -51.126
where: short stacking energy: -51.126
Base-Backbone interact. energy: -0.005
local terms energy: -65.869154
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -114.255512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.255512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.255512 (E_RNA)
where:
Base-Base interactions energy: -58.778
where: short stacking energy: -38.099
Base-Backbone interact. energy: -0.472
local terms energy: -55.005368
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -108.499556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.499556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.499556 (E_RNA)
where:
Base-Base interactions energy: -51.975
where: short stacking energy: -47.465
Base-Backbone interact. energy: -0.108
local terms energy: -56.416103
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -7.707
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: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -104.390972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.390972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.390972 (E_RNA)
where:
Base-Base interactions energy: -45.297
where: short stacking energy: -45.297
Base-Backbone interact. energy: -0.041
local terms energy: -59.052777
where:
bonds (distance) C4'-P energy: -6.094
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -92.673113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.673113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.673113 (E_RNA)
where:
Base-Base interactions energy: -33.256
where: short stacking energy: -31.782
Base-Backbone interact. energy: -0.105
local terms energy: -59.311424
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -1.457
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: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -91.366036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.366036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.366036 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -38.181
Base-Backbone interact. energy: -0.187
local terms energy: -52.998362
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -9.410
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: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -86.878919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.878919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.878919 (E_RNA)
where:
Base-Base interactions energy: -35.778
where: short stacking energy: -32.669
Base-Backbone interact. energy: 0.347
local terms energy: -51.447924
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -85.784867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.784867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.784867 (E_RNA)
where:
Base-Base interactions energy: -33.545
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.053
local terms energy: -52.186602
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -205.385330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.385330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.385330 (E_RNA)
where:
Base-Base interactions energy: -133.392
where: short stacking energy: -62.308
Base-Backbone interact. energy: 0.408
local terms energy: -72.401971
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -181.639709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.639709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.639709 (E_RNA)
where:
Base-Base interactions energy: -108.253
where: short stacking energy: -59.681
Base-Backbone interact. energy: -0.013
local terms energy: -73.373321
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -17.295
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: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -138.879292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.879292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.879292 (E_RNA)
where:
Base-Base interactions energy: -76.268
where: short stacking energy: -43.522
Base-Backbone interact. energy: -0.230
local terms energy: -62.381429
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -105.037243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.037243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.037243 (E_RNA)
where:
Base-Base interactions energy: -44.065
where: short stacking energy: -42.699
Base-Backbone interact. energy: -0.130
local terms energy: -60.843041
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -97.750641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.750641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.750641 (E_RNA)
where:
Base-Base interactions energy: -41.086
where: short stacking energy: -34.064
Base-Backbone interact. energy: -0.888
local terms energy: -55.775883
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -4.353
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: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -98.413938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.413938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.413938 (E_RNA)
where:
Base-Base interactions energy: -41.871
where: short stacking energy: -40.018
Base-Backbone interact. energy: -0.113
local terms energy: -56.429006
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -6.182
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: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -88.057832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.057832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.057832 (E_RNA)
where:
Base-Base interactions energy: -33.357
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.095
local terms energy: -54.605700
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -83.471139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.471139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.471139 (E_RNA)
where:
Base-Base interactions energy: -28.017
where: short stacking energy: -26.226
Base-Backbone interact. energy: 0.396
local terms energy: -55.850610
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -74.588209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.588209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.588209 (E_RNA)
where:
Base-Base interactions energy: -21.959
where: short stacking energy: -22.088
Base-Backbone interact. energy: -1.841
local terms energy: -50.788728
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -75.560063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.560063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.560063 (E_RNA)
where:
Base-Base interactions energy: -28.659
where: short stacking energy: -22.430
Base-Backbone interact. energy: 0.503
local terms energy: -47.403507
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -224.817088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.817088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.817088 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -74.279
Base-Backbone interact. energy: 0.226
local terms energy: -85.826050
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -182.619291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.619291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.619291 (E_RNA)
where:
Base-Base interactions energy: -114.667
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.009
local terms energy: -67.944013
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -18.801
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: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -156.501198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.501198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.501198 (E_RNA)
where:
Base-Base interactions energy: -100.292
where: short stacking energy: -40.431
Base-Backbone interact. energy: 0.297
local terms energy: -56.505744
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -11.327
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -8.296
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: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -103.359856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.359856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.359856 (E_RNA)
where:
Base-Base interactions energy: -48.612
where: short stacking energy: -43.146
Base-Backbone interact. energy: -0.430
local terms energy: -54.317735
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -8.190
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: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -114.084108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.084108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.084108 (E_RNA)
where:
Base-Base interactions energy: -52.586
where: short stacking energy: -44.404
Base-Backbone interact. energy: -1.503
local terms energy: -59.995674
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -104.581752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.581752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.581752 (E_RNA)
where:
Base-Base interactions energy: -49.959
where: short stacking energy: -49.959
Base-Backbone interact. energy: -0.138
local terms energy: -54.484687
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -82.476036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.476036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.476036 (E_RNA)
where:
Base-Base interactions energy: -33.951
where: short stacking energy: -33.657
Base-Backbone interact. energy: -0.112
local terms energy: -48.412800
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -3.392
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: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -84.637001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.637001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.637001 (E_RNA)
where:
Base-Base interactions energy: -42.185
where: short stacking energy: -33.726
Base-Backbone interact. energy: -0.085
local terms energy: -42.367039
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -71.927525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.927525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.927525 (E_RNA)
where:
Base-Base interactions energy: -28.707
where: short stacking energy: -28.131
Base-Backbone interact. energy: -0.241
local terms energy: -42.980073
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -2.861
tors. eta vs tors. theta energy: 1.315
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: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -75.934530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.934530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.934530 (E_RNA)
where:
Base-Base interactions energy: -21.870
where: short stacking energy: -16.720
Base-Backbone interact. energy: -0.275
local terms energy: -53.788731
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: 1.068
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: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -213.916091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.916091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.916091 (E_RNA)
where:
Base-Base interactions energy: -136.186
where: short stacking energy: -75.489
Base-Backbone interact. energy: -0.325
local terms energy: -77.405052
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -192.378937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.378937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.378937 (E_RNA)
where:
Base-Base interactions energy: -118.459
where: short stacking energy: -71.302
Base-Backbone interact. energy: -0.581
local terms energy: -73.339538
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -159.841856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.841856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.841856 (E_RNA)
where:
Base-Base interactions energy: -97.764
where: short stacking energy: -51.650
Base-Backbone interact. energy: -0.161
local terms energy: -61.916758
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -14.358
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: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -112.893001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.893001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.893001 (E_RNA)
where:
Base-Base interactions energy: -52.331
where: short stacking energy: -42.703
Base-Backbone interact. energy: -0.147
local terms energy: -60.414674
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -9.521
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: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -101.840323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.840323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.840323 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -37.639
Base-Backbone interact. energy: -0.048
local terms energy: -59.289167
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -101.371694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.371694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.371694 (E_RNA)
where:
Base-Base interactions energy: -45.919
where: short stacking energy: -45.919
Base-Backbone interact. energy: -0.029
local terms energy: -55.423035
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -9.837
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: 12
Temperature: 1.200000
Total energy: -93.160381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.160381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.160381 (E_RNA)
where:
Base-Base interactions energy: -38.994
where: short stacking energy: -27.550
Base-Backbone interact. energy: -0.110
local terms energy: -54.056303
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -96.014179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.014179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.014179 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -23.530
Base-Backbone interact. energy: 1.252
local terms energy: -60.024102
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -1.894
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: 9, replica: 2
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -88.793909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.793909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.793909 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -32.821
Base-Backbone interact. energy: 0.417
local terms energy: -55.447554
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -8.949
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: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -84.145758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.145758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.145758 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -29.278
Base-Backbone interact. energy: -0.133
local terms energy: -51.791736
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -7.033
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: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -218.463598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.463598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.463598 (E_RNA)
where:
Base-Base interactions energy: -144.422
where: short stacking energy: -75.270
Base-Backbone interact. energy: -0.025
local terms energy: -74.015651
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -171.387523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.387523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.387523 (E_RNA)
where:
Base-Base interactions energy: -99.493
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.299
local terms energy: -71.595518
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -146.030119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.030119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.030119 (E_RNA)
where:
Base-Base interactions energy: -81.225
where: short stacking energy: -50.237
Base-Backbone interact. energy: -0.035
local terms energy: -64.770759
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -8.698
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: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -121.468196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.468196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.468196 (E_RNA)
where:
Base-Base interactions energy: -57.159
where: short stacking energy: -44.675
Base-Backbone interact. energy: -0.199
local terms energy: -64.109962
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -115.391198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.391198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.391198 (E_RNA)
where:
Base-Base interactions energy: -48.318
where: short stacking energy: -48.318
Base-Backbone interact. energy: -0.011
local terms energy: -67.062018
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -14.239
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: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -92.899121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.899121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.899121 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -34.076
Base-Backbone interact. energy: -0.135
local terms energy: -58.687452
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -89.925667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.925667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.925667 (E_RNA)
where:
Base-Base interactions energy: -34.441
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.262
local terms energy: -55.221845
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -94.581374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.581374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.581374 (E_RNA)
where:
Base-Base interactions energy: -53.391
where: short stacking energy: -30.262
Base-Backbone interact. energy: 0.589
local terms energy: -41.779442
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -6.679
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: 2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -80.622978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.622978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.622978 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -23.196
Base-Backbone interact. energy: 2.105
local terms energy: -54.353241
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -80.240721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.240721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.240721 (E_RNA)
where:
Base-Base interactions energy: -25.625
where: short stacking energy: -15.551
Base-Backbone interact. energy: -0.187
local terms energy: -54.428027
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -214.653764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.653764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.653764 (E_RNA)
where:
Base-Base interactions energy: -136.051
where: short stacking energy: -74.270
Base-Backbone interact. energy: -0.121
local terms energy: -78.481736
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -21.987
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: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -175.224850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.224850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.224850 (E_RNA)
where:
Base-Base interactions energy: -103.024
where: short stacking energy: -68.431
Base-Backbone interact. energy: -0.044
local terms energy: -72.156170
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -16.690
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: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -147.719357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.719357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.719357 (E_RNA)
where:
Base-Base interactions energy: -87.101
where: short stacking energy: -35.770
Base-Backbone interact. energy: -0.279
local terms energy: -60.339276
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -8.230
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: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -129.258561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.258561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.258561 (E_RNA)
where:
Base-Base interactions energy: -68.112
where: short stacking energy: -40.248
Base-Backbone interact. energy: -0.050
local terms energy: -61.096032
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -100.534035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.534035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.534035 (E_RNA)
where:
Base-Base interactions energy: -45.582
where: short stacking energy: -45.389
Base-Backbone interact. energy: 0.628
local terms energy: -55.579539
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -9.068
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: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -99.844104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.844104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.844104 (E_RNA)
where:
Base-Base interactions energy: -47.878
where: short stacking energy: -45.533
Base-Backbone interact. energy: 0.662
local terms energy: -52.627911
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -7.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -162.517529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.517529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.517529 (E_RNA)
where:
Base-Base interactions energy: -98.416
where: short stacking energy: -46.002
Base-Backbone interact. energy: -0.058
local terms energy: -64.042615
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -92.907295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.907295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.907295 (E_RNA)
where:
Base-Base interactions energy: -36.953
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.022
local terms energy: -55.931677
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -12.223
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: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -81.348456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.348456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.348456 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.005
local terms energy: -48.207555
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -1.232
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: 14
Temperature: 1.350000
Total energy: -76.095411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.095411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.095411 (E_RNA)
where:
Base-Base interactions energy: -36.261
where: short stacking energy: -22.632
Base-Backbone interact. energy: -0.240
local terms energy: -39.594032
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: 3.995
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: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -212.837847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.837847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.837847 (E_RNA)
where:
Base-Base interactions energy: -137.230
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.277
local terms energy: -75.330726
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -161.767448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.767448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.767448 (E_RNA)
where:
Base-Base interactions energy: -98.812
where: short stacking energy: -45.784
Base-Backbone interact. energy: -0.448
local terms energy: -62.507089
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -171.427014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.427014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.427014 (E_RNA)
where:
Base-Base interactions energy: -106.149
where: short stacking energy: -60.473
Base-Backbone interact. energy: -0.200
local terms energy: -65.077678
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -12.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -105.063179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.063179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.063179 (E_RNA)
where:
Base-Base interactions energy: -56.673
where: short stacking energy: -29.030
Base-Backbone interact. energy: 1.505
local terms energy: -49.895313
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: 1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -116.686828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.686828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.686828 (E_RNA)
where:
Base-Base interactions energy: -51.373
where: short stacking energy: -50.139
Base-Backbone interact. energy: -0.071
local terms energy: -65.242227
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -17.427
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: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -172.926094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.926094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.926094 (E_RNA)
where:
Base-Base interactions energy: -108.768
where: short stacking energy: -51.496
Base-Backbone interact. energy: -0.071
local terms energy: -64.087382
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -88.672777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.672777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.672777 (E_RNA)
where:
Base-Base interactions energy: -44.788
where: short stacking energy: -18.099
Base-Backbone interact. energy: -0.305
local terms energy: -43.579396
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -9.012
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: 3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -96.950710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.950710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.950710 (E_RNA)
where:
Base-Base interactions energy: -43.453
where: short stacking energy: -38.410
Base-Backbone interact. energy: 1.271
local terms energy: -54.768635
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -7.566
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: 15
Temperature: 1.300000
Total energy: -82.098647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.098647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.098647 (E_RNA)
where:
Base-Base interactions energy: -26.457
where: short stacking energy: -22.724
Base-Backbone interact. energy: -1.339
local terms energy: -54.302413
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -74.253951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.253951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.253951 (E_RNA)
where:
Base-Base interactions energy: -26.352
where: short stacking energy: -24.064
Base-Backbone interact. energy: -0.183
local terms energy: -47.718221
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -217.125486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.125486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.125486 (E_RNA)
where:
Base-Base interactions energy: -135.884
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.002
local terms energy: -81.239395
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -165.745887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.745887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.745887 (E_RNA)
where:
Base-Base interactions energy: -99.004
where: short stacking energy: -42.942
Base-Backbone interact. energy: -0.372
local terms energy: -66.369181
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -155.386033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.386033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.386033 (E_RNA)
where:
Base-Base interactions energy: -95.992
where: short stacking energy: -49.551
Base-Backbone interact. energy: -0.220
local terms energy: -59.173912
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -108.835580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.835580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.835580 (E_RNA)
where:
Base-Base interactions energy: -52.527
where: short stacking energy: -45.920
Base-Backbone interact. energy: -0.096
local terms energy: -56.212451
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -8.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -180.822750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.822750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.822750 (E_RNA)
where:
Base-Base interactions energy: -113.057
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.607
local terms energy: -67.158601
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -8.448
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: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -103.228419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.228419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.228419 (E_RNA)
where:
Base-Base interactions energy: -44.256
where: short stacking energy: -44.256
Base-Backbone interact. energy: -0.080
local terms energy: -58.892869
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -101.354785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.354785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.354785 (E_RNA)
where:
Base-Base interactions energy: -43.681
where: short stacking energy: -43.681
Base-Backbone interact. energy: 0.496
local terms energy: -58.169591
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -88.837535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.837535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.837535 (E_RNA)
where:
Base-Base interactions energy: -29.084
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.118
local terms energy: -59.635637
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -113.653785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.653785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.653785 (E_RNA)
where:
Base-Base interactions energy: -66.997
where: short stacking energy: -26.145
Base-Backbone interact. energy: 0.961
local terms energy: -47.617416
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -92.961222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.961222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.961222 (E_RNA)
where:
Base-Base interactions energy: -28.851
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.308
local terms energy: -63.801544
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -7.792
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: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -220.523877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.523877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.523877 (E_RNA)
where:
Base-Base interactions energy: -142.360
where: short stacking energy: -72.112
Base-Backbone interact. energy: -0.793
local terms energy: -77.371076
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -17.753
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -181.242054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.242054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.242054 (E_RNA)
where:
Base-Base interactions energy: -111.463
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.009
local terms energy: -69.770716
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -15.032
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: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -148.055160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.055160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.055160 (E_RNA)
where:
Base-Base interactions energy: -89.203
where: short stacking energy: -43.407
Base-Backbone interact. energy: -0.295
local terms energy: -58.557198
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -184.251488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.251488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.251488 (E_RNA)
where:
Base-Base interactions energy: -116.638
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.004
local terms energy: -67.609379
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -15.030
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: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -105.824379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.824379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.824379 (E_RNA)
where:
Base-Base interactions energy: -56.675
where: short stacking energy: -28.847
Base-Backbone interact. energy: -0.430
local terms energy: -48.719035
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -92.795920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.795920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.795920 (E_RNA)
where:
Base-Base interactions energy: -41.915
where: short stacking energy: -41.915
Base-Backbone interact. energy: -0.240
local terms energy: -50.641643
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -92.609717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.609717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.609717 (E_RNA)
where:
Base-Base interactions energy: -41.647
where: short stacking energy: -28.126
Base-Backbone interact. energy: -0.229
local terms energy: -50.733742
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -129.495639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.495639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.495639 (E_RNA)
where:
Base-Base interactions energy: -74.953
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.305
local terms energy: -54.236820
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -9.211
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -1.334
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: 17
Temperature: 1.300000
Total energy: -87.261595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.261595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.261595 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -37.221
Base-Backbone interact. energy: 1.729
local terms energy: -51.769510
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -74.786306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.786306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.786306 (E_RNA)
where:
Base-Base interactions energy: -28.937
where: short stacking energy: -27.013
Base-Backbone interact. energy: -0.200
local terms energy: -45.649780
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -1.786
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: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -214.421267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.421267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.421267 (E_RNA)
where:
Base-Base interactions energy: -133.776
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.037
local terms energy: -80.607809
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -20.147
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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -183.020655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.020655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.020655 (E_RNA)
where:
Base-Base interactions energy: -108.441
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.263
local terms energy: -74.316168
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -179.446967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.446967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.446967 (E_RNA)
where:
Base-Base interactions energy: -112.239
where: short stacking energy: -67.253
Base-Backbone interact. energy: -0.001
local terms energy: -67.207125
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -14.931
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: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -147.735936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.735936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.735936 (E_RNA)
where:
Base-Base interactions energy: -96.354
where: short stacking energy: -37.373
Base-Backbone interact. energy: -1.430
local terms energy: -49.951334
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -91.103514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103514 (E_RNA)
where:
Base-Base interactions energy: -38.354
where: short stacking energy: -38.354
Base-Backbone interact. energy: -0.112
local terms energy: -52.637063
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -119.274737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.274737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.274737 (E_RNA)
where:
Base-Base interactions energy: -66.648
where: short stacking energy: -40.768
Base-Backbone interact. energy: 0.452
local terms energy: -53.078714
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -171.523523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.523523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.523523 (E_RNA)
where:
Base-Base interactions energy: -112.800
where: short stacking energy: -60.678
Base-Backbone interact. energy: -0.001
local terms energy: -58.722325
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -83.356866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.356866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.356866 (E_RNA)
where:
Base-Base interactions energy: -33.578
where: short stacking energy: -31.545
Base-Backbone interact. energy: 0.444
local terms energy: -50.222790
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -91.365354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.365354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.365354 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.704
local terms energy: -56.069076
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -7.701
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -83.235013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.235013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.235013 (E_RNA)
where:
Base-Base interactions energy: -31.984
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.179
local terms energy: -51.072057
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -213.135565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.135565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.135565 (E_RNA)
where:
Base-Base interactions energy: -132.562
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.320
local terms energy: -80.253806
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -193.272983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.272983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.272983 (E_RNA)
where:
Base-Base interactions energy: -107.893
where: short stacking energy: -71.639
Base-Backbone interact. energy: -0.164
local terms energy: -85.215701
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -13.250
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: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -184.392829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.392829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.392829 (E_RNA)
where:
Base-Base interactions energy: -110.490
where: short stacking energy: -60.602
Base-Backbone interact. energy: -0.826
local terms energy: -73.077070
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -17.126
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: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -137.397841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.397841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.397841 (E_RNA)
where:
Base-Base interactions energy: -76.330
where: short stacking energy: -41.493
Base-Backbone interact. energy: 0.039
local terms energy: -61.106740
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -105.231172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.231172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.231172 (E_RNA)
where:
Base-Base interactions energy: -46.064
where: short stacking energy: -40.555
Base-Backbone interact. energy: 0.406
local terms energy: -59.573207
where:
bonds (distance) C4'-P energy: -8.482
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -188.565250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.565250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.565250 (E_RNA)
where:
Base-Base interactions energy: -121.380
where: short stacking energy: -60.583
Base-Backbone interact. energy: -0.094
local terms energy: -67.091212
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -17.335
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: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -120.664101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.664101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.664101 (E_RNA)
where:
Base-Base interactions energy: -72.867
where: short stacking energy: -26.474
Base-Backbone interact. energy: 0.057
local terms energy: -47.853635
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -0.297
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: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -83.324372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.324372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.324372 (E_RNA)
where:
Base-Base interactions energy: -35.002
where: short stacking energy: -20.070
Base-Backbone interact. energy: -0.921
local terms energy: -47.401371
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -92.903028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.903028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.903028 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -33.742
Base-Backbone interact. energy: -0.178
local terms energy: -54.901397
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -78.437763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.437763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.437763 (E_RNA)
where:
Base-Base interactions energy: -38.058
where: short stacking energy: -31.870
Base-Backbone interact. energy: -0.129
local terms energy: -40.250754
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -184.256089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.256089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.256089 (E_RNA)
where:
Base-Base interactions energy: -107.345
where: short stacking energy: -70.836
Base-Backbone interact. energy: -0.306
local terms energy: -76.604594
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -205.511348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.511348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.511348 (E_RNA)
where:
Base-Base interactions energy: -140.148
where: short stacking energy: -72.051
Base-Backbone interact. energy: -0.185
local terms energy: -65.177919
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -149.845532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.845532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.845532 (E_RNA)
where:
Base-Base interactions energy: -86.315
where: short stacking energy: -49.949
Base-Backbone interact. energy: -0.240
local terms energy: -63.290453
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -9.178
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: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -178.083894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.083894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.083894 (E_RNA)
where:
Base-Base interactions energy: -107.772
where: short stacking energy: -57.012
Base-Backbone interact. energy: 2.246
local terms energy: -72.558439
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -179.018369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.018369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.018369 (E_RNA)
where:
Base-Base interactions energy: -107.463
where: short stacking energy: -53.338
Base-Backbone interact. energy: -0.023
local terms energy: -71.532141
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -94.808149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.808149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.808149 (E_RNA)
where:
Base-Base interactions energy: -35.328
where: short stacking energy: -35.328
Base-Backbone interact. energy: -0.213
local terms energy: -59.267043
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -140.765900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.765900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.765900 (E_RNA)
where:
Base-Base interactions energy: -87.920
where: short stacking energy: -40.590
Base-Backbone interact. energy: -0.247
local terms energy: -52.598044
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -4.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -92.168068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.168068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.168068 (E_RNA)
where:
Base-Base interactions energy: -34.750
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.413
local terms energy: -57.004441
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -75.017681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.017681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.017681 (E_RNA)
where:
Base-Base interactions energy: -29.695
where: short stacking energy: -25.528
Base-Backbone interact. energy: 0.936
local terms energy: -46.258927
where:
bonds (distance) C4'-P energy: -5.760
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -2.390
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: 20
Temperature: 1.350000
Total energy: -74.704036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.704036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.704036 (E_RNA)
where:
Base-Base interactions energy: -26.909
where: short stacking energy: -15.976
Base-Backbone interact. energy: -0.234
local terms energy: -47.560487
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: 3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -186.403908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.403908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.403908 (E_RNA)
where:
Base-Base interactions energy: -110.342
where: short stacking energy: -61.496
Base-Backbone interact. energy: -0.675
local terms energy: -75.386716
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -207.808270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.808270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.808270 (E_RNA)
where:
Base-Base interactions energy: -135.555
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.593
local terms energy: -71.659977
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -145.302298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.302298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.302298 (E_RNA)
where:
Base-Base interactions energy: -91.556
where: short stacking energy: -39.337
Base-Backbone interact. energy: -0.115
local terms energy: -53.631005
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -6.882
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -172.742815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.742815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.742815 (E_RNA)
where:
Base-Base interactions energy: -110.505
where: short stacking energy: -62.095
Base-Backbone interact. energy: -0.177
local terms energy: -62.061189
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -185.700257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.700257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.700257 (E_RNA)
where:
Base-Base interactions energy: -119.247
where: short stacking energy: -49.909
Base-Backbone interact. energy: -0.253
local terms energy: -66.199713
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -138.352808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.352808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.352808 (E_RNA)
where:
Base-Base interactions energy: -80.390
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.187
local terms energy: -57.775845
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -10.361
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: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -90.906366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.906366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.906366 (E_RNA)
where:
Base-Base interactions energy: -43.729
where: short stacking energy: -41.296
Base-Backbone interact. energy: -0.168
local terms energy: -47.009397
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -83.542908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.542908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.542908 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -37.530
Base-Backbone interact. energy: -0.081
local terms energy: -43.498359
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -2.635
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: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -93.585850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.585850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.585850 (E_RNA)
where:
Base-Base interactions energy: -36.756
where: short stacking energy: -36.756
Base-Backbone interact. energy: -0.598
local terms energy: -56.232567
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -79.290465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.290465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.290465 (E_RNA)
where:
Base-Base interactions energy: -24.798
where: short stacking energy: -24.798
Base-Backbone interact. energy: -0.683
local terms energy: -53.809473
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -5.859
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: 22
Temperature: 0.900000
Total energy: -219.900736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.900736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.900736 (E_RNA)
where:
Base-Base interactions energy: -139.392
where: short stacking energy: -75.497
Base-Backbone interact. energy: -0.112
local terms energy: -80.396554
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -9.076
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: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -187.372589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.372589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.372589 (E_RNA)
where:
Base-Base interactions energy: -121.740
where: short stacking energy: -71.144
Base-Backbone interact. energy: -0.218
local terms energy: -65.413988
where:
bonds (distance) C4'-P energy: -5.421
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -19.068
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: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -186.318577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.318577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.318577 (E_RNA)
where:
Base-Base interactions energy: -114.699
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.118
local terms energy: -71.501190
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -130.550836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.550836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.550836 (E_RNA)
where:
Base-Base interactions energy: -76.029
where: short stacking energy: -26.816
Base-Backbone interact. energy: -0.280
local terms energy: -54.242191
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -2.572
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: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -175.204052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.204052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.204052 (E_RNA)
where:
Base-Base interactions energy: -111.236
where: short stacking energy: -46.104
Base-Backbone interact. energy: 0.538
local terms energy: -64.506542
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -6.938
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: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -148.980776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.980776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.980776 (E_RNA)
where:
Base-Base interactions energy: -81.893
where: short stacking energy: -39.044
Base-Backbone interact. energy: -0.340
local terms energy: -66.748190
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -127.586692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.586692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.586692 (E_RNA)
where:
Base-Base interactions energy: -71.778
where: short stacking energy: -35.034
Base-Backbone interact. energy: 0.313
local terms energy: -56.121676
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -120.514184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.514184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.514184 (E_RNA)
where:
Base-Base interactions energy: -66.300
where: short stacking energy: -40.664
Base-Backbone interact. energy: -0.322
local terms energy: -53.891690
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -6.068
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: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -99.622931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.622931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.622931 (E_RNA)
where:
Base-Base interactions energy: -45.112
where: short stacking energy: -40.580
Base-Backbone interact. energy: -0.340
local terms energy: -54.171189
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -9.227
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: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -76.390621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.390621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.390621 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -26.805
Base-Backbone interact. energy: -0.095
local terms energy: -48.445552
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -222.353362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.353362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.353362 (E_RNA)
where:
Base-Base interactions energy: -145.488
where: short stacking energy: -79.640
Base-Backbone interact. energy: -0.040
local terms energy: -76.824741
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -20.434
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -194.255403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.255403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.255403 (E_RNA)
where:
Base-Base interactions energy: -114.423
where: short stacking energy: -63.219
Base-Backbone interact. energy: -0.156
local terms energy: -79.676174
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -19.154
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: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -183.170153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.170153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.170153 (E_RNA)
where:
Base-Base interactions energy: -105.093
where: short stacking energy: -53.011
Base-Backbone interact. energy: -0.567
local terms energy: -77.509359
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -15.104
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: 23
Temperature: 1.050000
Total energy: -198.284551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.284551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.284551 (E_RNA)
where:
Base-Base interactions energy: -128.230
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.039
local terms energy: -70.015857
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -17.944
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: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -151.903333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.903333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.903333 (E_RNA)
where:
Base-Base interactions energy: -78.800
where: short stacking energy: -46.344
Base-Backbone interact. energy: -0.323
local terms energy: -72.779808
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -154.478265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.478265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.478265 (E_RNA)
where:
Base-Base interactions energy: -99.420
where: short stacking energy: -50.381
Base-Backbone interact. energy: -0.753
local terms energy: -54.305275
where:
bonds (distance) C4'-P energy: -8.393
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -9.694
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: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -143.327159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.327159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.327159 (E_RNA)
where:
Base-Base interactions energy: -87.714
where: short stacking energy: -37.282
Base-Backbone interact. energy: -0.059
local terms energy: -55.554549
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -7.637
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: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -89.771494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.771494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.771494 (E_RNA)
where:
Base-Base interactions energy: -43.096
where: short stacking energy: -19.771
Base-Backbone interact. energy: -0.154
local terms energy: -46.521541
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -7.887
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -134.245784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.245784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.245784 (E_RNA)
where:
Base-Base interactions energy: -78.375
where: short stacking energy: -41.510
Base-Backbone interact. energy: -0.903
local terms energy: -54.968300
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: -7.254
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: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -86.033810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.033810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.033810 (E_RNA)
where:
Base-Base interactions energy: -36.313
where: short stacking energy: -31.565
Base-Backbone interact. energy: -0.065
local terms energy: -49.656103
where:
bonds (distance) C4'-P energy: -6.535
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -208.032477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.032477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.032477 (E_RNA)
where:
Base-Base interactions energy: -134.327
where: short stacking energy: -69.499
Base-Backbone interact. energy: -0.396
local terms energy: -73.309228
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -181.089841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.089841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.089841 (E_RNA)
where:
Base-Base interactions energy: -110.183
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.140
local terms energy: -70.766662
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -16.224
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: 3, replica: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -199.318161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.318161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.318161 (E_RNA)
where:
Base-Base interactions energy: -129.807
where: short stacking energy: -62.972
Base-Backbone interact. energy: -0.033
local terms energy: -69.478479
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -178.749821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.749821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.749821 (E_RNA)
where:
Base-Base interactions energy: -114.575
where: short stacking energy: -66.299
Base-Backbone interact. energy: 1.546
local terms energy: -65.721004
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -161.307165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.307165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.307165 (E_RNA)
where:
Base-Base interactions energy: -99.074
where: short stacking energy: -51.929
Base-Backbone interact. energy: -0.235
local terms energy: -61.997573
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -132.863614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.863614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.863614 (E_RNA)
where:
Base-Base interactions energy: -76.232
where: short stacking energy: -39.321
Base-Backbone interact. energy: -1.227
local terms energy: -55.405076
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -105.488329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.488329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.488329 (E_RNA)
where:
Base-Base interactions energy: -57.600
where: short stacking energy: -31.119
Base-Backbone interact. energy: -0.229
local terms energy: -47.659000
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -95.312036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.312036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.312036 (E_RNA)
where:
Base-Base interactions energy: -36.113
where: short stacking energy: -35.578
Base-Backbone interact. energy: -1.123
local terms energy: -58.076021
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -82.607609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.607609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.607609 (E_RNA)
where:
Base-Base interactions energy: -37.450
where: short stacking energy: -37.450
Base-Backbone interact. energy: -0.274
local terms energy: -44.884333
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -0.856
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: 24
Temperature: 1.350000
Total energy: -111.763169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.763169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.763169 (E_RNA)
where:
Base-Base interactions energy: -69.157
where: short stacking energy: -40.914
Base-Backbone interact. energy: -0.029
local terms energy: -42.577455
where:
bonds (distance) C4'-P energy: -4.123
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -219.603076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.603076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.603076 (E_RNA)
where:
Base-Base interactions energy: -136.865
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.000
local terms energy: -82.737597
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -203.600057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.600057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.600057 (E_RNA)
where:
Base-Base interactions energy: -130.919
where: short stacking energy: -65.198
Base-Backbone interact. energy: -0.005
local terms energy: -72.676438
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -194.438156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.438156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.438156 (E_RNA)
where:
Base-Base interactions energy: -124.176
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.052
local terms energy: -70.210539
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -182.408662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.408662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.408662 (E_RNA)
where:
Base-Base interactions energy: -115.524
where: short stacking energy: -61.574
Base-Backbone interact. energy: -0.005
local terms energy: -66.880088
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -163.226850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.226850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.226850 (E_RNA)
where:
Base-Base interactions energy: -102.237
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.226
local terms energy: -60.763577
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -2.213
tors. eta vs tors. theta energy: -16.196
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: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -100.766098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.766098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.766098 (E_RNA)
where:
Base-Base interactions energy: -40.933
where: short stacking energy: -40.933
Base-Backbone interact. energy: -0.111
local terms energy: -59.721445
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -9.280
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -109.301478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.301478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.301478 (E_RNA)
where:
Base-Base interactions energy: -57.565
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.315
local terms energy: -51.420744
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -6.238
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -8.708
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: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -91.524031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.524031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.524031 (E_RNA)
where:
Base-Base interactions energy: -34.540
where: short stacking energy: -34.360
Base-Backbone interact. energy: -0.219
local terms energy: -56.765300
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -5.812
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: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -82.936450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.936450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.936450 (E_RNA)
where:
Base-Base interactions energy: -34.735
where: short stacking energy: -32.123
Base-Backbone interact. energy: -0.315
local terms energy: -47.886677
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -73.873788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.873788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.873788 (E_RNA)
where:
Base-Base interactions energy: -26.436
where: short stacking energy: -25.238
Base-Backbone interact. energy: -0.122
local terms energy: -47.315847
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -6.253
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: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -218.117470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.117470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.117470 (E_RNA)
where:
Base-Base interactions energy: -136.427
where: short stacking energy: -72.279
Base-Backbone interact. energy: -0.002
local terms energy: -81.689041
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -204.815737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.815737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.815737 (E_RNA)
where:
Base-Base interactions energy: -127.266
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.008
local terms energy: -77.541654
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -182.857784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.857784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.857784 (E_RNA)
where:
Base-Base interactions energy: -110.495
where: short stacking energy: -62.252
Base-Backbone interact. energy: -0.830
local terms energy: -71.532468
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -160.977331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.977331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.977331 (E_RNA)
where:
Base-Base interactions energy: -104.608
where: short stacking energy: -51.877
Base-Backbone interact. energy: 1.161
local terms energy: -57.530782
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -7.611
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: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -171.250747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.250747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.250747 (E_RNA)
where:
Base-Base interactions energy: -113.567
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.003
local terms energy: -57.681149
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -14.638
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: 26
Temperature: 1.150000
Total energy: -91.903497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.903497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.903497 (E_RNA)
where:
Base-Base interactions energy: -39.903
where: short stacking energy: -32.616
Base-Backbone interact. energy: -0.074
local terms energy: -51.926301
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -86.018641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.018641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.018641 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -29.491
Base-Backbone interact. energy: 0.407
local terms energy: -53.139957
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -3.401
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: 26
Temperature: 1.250000
Total energy: -117.218539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.218539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.218539 (E_RNA)
where:
Base-Base interactions energy: -60.979
where: short stacking energy: -37.450
Base-Backbone interact. energy: -0.609
local terms energy: -55.630498
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -9.592
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -5.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -72.422305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.422305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.422305 (E_RNA)
where:
Base-Base interactions energy: -25.916
where: short stacking energy: -21.780
Base-Backbone interact. energy: -0.326
local terms energy: -46.179943
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -7.793
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: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -72.546629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.546629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.546629 (E_RNA)
where:
Base-Base interactions energy: -26.794
where: short stacking energy: -23.168
Base-Backbone interact. energy: -0.160
local terms energy: -45.593169
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: 4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -200.124390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.124390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.124390 (E_RNA)
where:
Base-Base interactions energy: -126.906
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.006
local terms energy: -73.212882
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -193.345893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.345893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.345893 (E_RNA)
where:
Base-Base interactions energy: -115.726
where: short stacking energy: -67.197
Base-Backbone interact. energy: -0.555
local terms energy: -77.065201
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -20.099
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: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -188.895670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.895670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.895670 (E_RNA)
where:
Base-Base interactions energy: -120.139
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.337
local terms energy: -68.419751
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -15.367
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: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -183.948352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.948352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.948352 (E_RNA)
where:
Base-Base interactions energy: -114.356
where: short stacking energy: -64.603
Base-Backbone interact. energy: -0.197
local terms energy: -69.395265
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -166.211319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.211319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.211319 (E_RNA)
where:
Base-Base interactions energy: -110.895
where: short stacking energy: -43.987
Base-Backbone interact. energy: -0.095
local terms energy: -55.221232
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -98.484217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.484217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.484217 (E_RNA)
where:
Base-Base interactions energy: -40.552
where: short stacking energy: -40.552
Base-Backbone interact. energy: -0.072
local terms energy: -57.859992
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -99.632713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.632713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.632713 (E_RNA)
where:
Base-Base interactions energy: -45.795
where: short stacking energy: -44.119
Base-Backbone interact. energy: -0.007
local terms energy: -53.830500
where:
bonds (distance) C4'-P energy: -6.427
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -100.205133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.205133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.205133 (E_RNA)
where:
Base-Base interactions energy: -45.069
where: short stacking energy: -25.492
Base-Backbone interact. energy: -0.336
local terms energy: -54.800284
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -4.948
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: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -97.742622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.742622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.742622 (E_RNA)
where:
Base-Base interactions energy: -51.656
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.397
local terms energy: -45.688922
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -6.905
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -97.546301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.546301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.546301 (E_RNA)
where:
Base-Base interactions energy: -57.725
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.187
local terms energy: -39.634418
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -3.911
tors. eta vs tors. theta energy: 0.759
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: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -204.234106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.234106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.234106 (E_RNA)
where:
Base-Base interactions energy: -129.154
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.013
local terms energy: -75.066732
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -209.433389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.433389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433389 (E_RNA)
where:
Base-Base interactions energy: -132.964
where: short stacking energy: -72.386
Base-Backbone interact. energy: -0.002
local terms energy: -76.466716
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -206.915229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.915229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.915229 (E_RNA)
where:
Base-Base interactions energy: -128.656
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.289
local terms energy: -77.970614
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -21.447
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -169.119098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.119098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.119098 (E_RNA)
where:
Base-Base interactions energy: -104.949
where: short stacking energy: -48.971
Base-Backbone interact. energy: -0.485
local terms energy: -63.685715
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -158.248437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.248437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.248437 (E_RNA)
where:
Base-Base interactions energy: -95.359
where: short stacking energy: -50.361
Base-Backbone interact. energy: 2.008
local terms energy: -64.896616
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -12.256
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: 28
Temperature: 1.150000
Total energy: -93.891366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.891366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.891366 (E_RNA)
where:
Base-Base interactions energy: -45.071
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.070
local terms energy: -48.750825
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -91.794437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.794437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.794437 (E_RNA)
where:
Base-Base interactions energy: -33.658
where: short stacking energy: -33.658
Base-Backbone interact. energy: -0.060
local terms energy: -58.076296
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -5.628
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: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -96.685100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.685100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.685100 (E_RNA)
where:
Base-Base interactions energy: -49.482
where: short stacking energy: -33.878
Base-Backbone interact. energy: -0.013
local terms energy: -47.190398
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -6.106
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: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -124.697663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.697663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.697663 (E_RNA)
where:
Base-Base interactions energy: -59.641
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.665
local terms energy: -64.392302
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -74.523775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.523775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.523775 (E_RNA)
where:
Base-Base interactions energy: -23.782
where: short stacking energy: -22.085
Base-Backbone interact. energy: -0.321
local terms energy: -50.420559
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -206.736226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.736226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.736226 (E_RNA)
where:
Base-Base interactions energy: -131.615
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.379
local terms energy: -74.741393
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -15.135
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: 29
Temperature: 0.950000
Total energy: -214.311663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.311663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.311663 (E_RNA)
where:
Base-Base interactions energy: -140.656
where: short stacking energy: -71.252
Base-Backbone interact. energy: -1.255
local terms energy: -72.400635
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -20.269
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: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -187.485043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.485043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.485043 (E_RNA)
where:
Base-Base interactions energy: -116.616
where: short stacking energy: -64.708
Base-Backbone interact. energy: -0.001
local terms energy: -70.868542
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -19.027
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: 29
Temperature: 1.050000
Total energy: -172.434329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.434329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.434329 (E_RNA)
where:
Base-Base interactions energy: -103.013
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.433
local terms energy: -68.988522
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -162.472545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.472545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.472545 (E_RNA)
where:
Base-Base interactions energy: -103.657
where: short stacking energy: -52.710
Base-Backbone interact. energy: -0.060
local terms energy: -58.755516
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -6.880
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: 6, replica: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -96.669249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.669249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.669249 (E_RNA)
where:
Base-Base interactions energy: -42.000
where: short stacking energy: -42.000
Base-Backbone interact. energy: -0.108
local terms energy: -54.560926
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -7.760
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: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -102.468979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.468979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.468979 (E_RNA)
where:
Base-Base interactions energy: -45.034
where: short stacking energy: -43.749
Base-Backbone interact. energy: -0.167
local terms energy: -57.267718
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -7.045
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -10.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -126.672197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.672197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.672197 (E_RNA)
where:
Base-Base interactions energy: -70.242
where: short stacking energy: -29.609
Base-Backbone interact. energy: -0.110
local terms energy: -56.320339
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -83.729700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.729700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.729700 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -29.876
Base-Backbone interact. energy: -0.321
local terms energy: -50.229342
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -6.638
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: 1
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -82.438438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.438438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.438438 (E_RNA)
where:
Base-Base interactions energy: -27.464
where: short stacking energy: -28.564
Base-Backbone interact. energy: -0.064
local terms energy: -54.910175
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -222.232078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.232078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.232078 (E_RNA)
where:
Base-Base interactions energy: -137.394
where: short stacking energy: -70.903
Base-Backbone interact. energy: -0.008
local terms energy: -84.830557
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -23.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -198.444534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.444534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.444534 (E_RNA)
where:
Base-Base interactions energy: -124.174
where: short stacking energy: -56.150
Base-Backbone interact. energy: -0.050
local terms energy: -74.220791
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -13.654
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: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -175.271593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.271593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.271593 (E_RNA)
where:
Base-Base interactions energy: -105.136
where: short stacking energy: -54.674
Base-Backbone interact. energy: -0.100
local terms energy: -70.035992
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -181.349425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.349425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.349425 (E_RNA)
where:
Base-Base interactions energy: -109.013
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.096
local terms energy: -72.240231
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.017
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: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -156.703625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.703625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.703625 (E_RNA)
where:
Base-Base interactions energy: -96.313
where: short stacking energy: -50.064
Base-Backbone interact. energy: -1.096
local terms energy: -59.294227
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -7.886
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: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -100.724759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.724759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.724759 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -32.026
Base-Backbone interact. energy: -0.306
local terms energy: -59.154312
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -7.724
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: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -123.264772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.264772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.264772 (E_RNA)
where:
Base-Base interactions energy: -82.511
where: short stacking energy: -26.375
Base-Backbone interact. energy: -0.344
local terms energy: -40.409593
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -82.589867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.589867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.589867 (E_RNA)
where:
Base-Base interactions energy: -27.773
where: short stacking energy: -27.166
Base-Backbone interact. energy: 0.695
local terms energy: -55.512006
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -4.346
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: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -80.386266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.386266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.386266 (E_RNA)
where:
Base-Base interactions energy: -31.281
where: short stacking energy: -27.662
Base-Backbone interact. energy: -0.960
local terms energy: -48.144953
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -87.272192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.272192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.272192 (E_RNA)
where:
Base-Base interactions energy: -34.111
where: short stacking energy: -33.168
Base-Backbone interact. energy: -0.144
local terms energy: -53.017081
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -221.004067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.004067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.004067 (E_RNA)
where:
Base-Base interactions energy: -146.054
where: short stacking energy: -75.980
Base-Backbone interact. energy: -0.100
local terms energy: -74.849851
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -173.982234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.982234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.982234 (E_RNA)
where:
Base-Base interactions energy: -110.988
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.333
local terms energy: -62.661399
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -14.116
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: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -191.465544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.465544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.465544 (E_RNA)
where:
Base-Base interactions energy: -124.585
where: short stacking energy: -56.050
Base-Backbone interact. energy: -0.518
local terms energy: -66.362557
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -170.943530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.943530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.943530 (E_RNA)
where:
Base-Base interactions energy: -103.391
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.020
local terms energy: -67.531958
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -152.008700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.008700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.008700 (E_RNA)
where:
Base-Base interactions energy: -93.532
where: short stacking energy: -45.256
Base-Backbone interact. energy: -0.206
local terms energy: -58.270807
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -7.260
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: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -151.733750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.733750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.733750 (E_RNA)
where:
Base-Base interactions energy: -94.897
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.009
local terms energy: -56.827850
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -97.181106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.181106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.181106 (E_RNA)
where:
Base-Base interactions energy: -44.093
where: short stacking energy: -43.709
Base-Backbone interact. energy: -0.100
local terms energy: -52.988234
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -7.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -91.477135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.477135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.477135 (E_RNA)
where:
Base-Base interactions energy: -38.552
where: short stacking energy: -38.552
Base-Backbone interact. energy: 0.112
local terms energy: -53.036824
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -3.542
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: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -78.106599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.106599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.106599 (E_RNA)
where:
Base-Base interactions energy: -26.412
where: short stacking energy: -21.108
Base-Backbone interact. energy: 2.031
local terms energy: -53.726073
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -1.240
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: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -82.257276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.257276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.257276 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -23.883
Base-Backbone interact. energy: -0.874
local terms energy: -42.280227
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: 3.030
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: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -220.043129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.043129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.043129 (E_RNA)
where:
Base-Base interactions energy: -141.452
where: short stacking energy: -75.352
Base-Backbone interact. energy: -0.596
local terms energy: -77.995789
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -186.455339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.455339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.455339 (E_RNA)
where:
Base-Base interactions energy: -111.840
where: short stacking energy: -60.588
Base-Backbone interact. energy: -0.069
local terms energy: -74.546859
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -194.621388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.621388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.621388 (E_RNA)
where:
Base-Base interactions energy: -121.056
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.103
local terms energy: -73.462946
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -182.137356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.137356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.137356 (E_RNA)
where:
Base-Base interactions energy: -115.641
where: short stacking energy: -53.696
Base-Backbone interact. energy: -1.169
local terms energy: -65.327323
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -14.268
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: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -179.610838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.610838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.610838 (E_RNA)
where:
Base-Base interactions energy: -118.415
where: short stacking energy: -53.692
Base-Backbone interact. energy: -1.331
local terms energy: -59.865498
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -7.342
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: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -162.696835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.696835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.696835 (E_RNA)
where:
Base-Base interactions energy: -101.004
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.636
local terms energy: -61.057180
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -95.692178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.692178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.692178 (E_RNA)
where:
Base-Base interactions energy: -42.648
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.038
local terms energy: -53.005412
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -86.572058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572058 (E_RNA)
where:
Base-Base interactions energy: -38.516
where: short stacking energy: -38.516
Base-Backbone interact. energy: -0.142
local terms energy: -47.913904
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -80.488449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.488449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.488449 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -31.202
Base-Backbone interact. energy: 1.989
local terms energy: -46.232321
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -78.491501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.491501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.491501 (E_RNA)
where:
Base-Base interactions energy: -24.285
where: short stacking energy: -23.175
Base-Backbone interact. energy: -0.052
local terms energy: -54.154095
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -3.107
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: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -214.896987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.896987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.896987 (E_RNA)
where:
Base-Base interactions energy: -140.134
where: short stacking energy: -75.221
Base-Backbone interact. energy: -0.002
local terms energy: -74.761788
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.615
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: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -200.538090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.538090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.538090 (E_RNA)
where:
Base-Base interactions energy: -130.043
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.294
local terms energy: -70.200657
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -3.389
tors. eta vs tors. theta energy: -20.417
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: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -181.766080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.766080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.766080 (E_RNA)
where:
Base-Base interactions energy: -110.405
where: short stacking energy: -60.179
Base-Backbone interact. energy: 1.145
local terms energy: -72.505985
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -191.447941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.447941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.447941 (E_RNA)
where:
Base-Base interactions energy: -128.648
where: short stacking energy: -58.727
Base-Backbone interact. energy: -0.905
local terms energy: -61.894840
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -178.894609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.894609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.894609 (E_RNA)
where:
Base-Base interactions energy: -120.187
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.015
local terms energy: -58.692548
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -12.974
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: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -95.467198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.467198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.467198 (E_RNA)
where:
Base-Base interactions energy: -46.015
where: short stacking energy: -44.310
Base-Backbone interact. energy: 0.056
local terms energy: -49.507360
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -149.134984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.134984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.134984 (E_RNA)
where:
Base-Base interactions energy: -90.896
where: short stacking energy: -45.900
Base-Backbone interact. energy: 1.300
local terms energy: -59.539218
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -12.421
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: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -142.331767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.331767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.331767 (E_RNA)
where:
Base-Base interactions energy: -84.063
where: short stacking energy: -42.011
Base-Backbone interact. energy: -0.398
local terms energy: -57.870610
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -85.529359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.529359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.529359 (E_RNA)
where:
Base-Base interactions energy: -33.348
where: short stacking energy: -33.348
Base-Backbone interact. energy: -0.005
local terms energy: -52.176320
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -3.373
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: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -73.322904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.322904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.322904 (E_RNA)
where:
Base-Base interactions energy: -32.595
where: short stacking energy: -30.104
Base-Backbone interact. energy: -0.089
local terms energy: -40.638587
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: 0.992
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: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -207.133561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.133561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.133561 (E_RNA)
where:
Base-Base interactions energy: -132.540
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.170
local terms energy: -74.423121
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -199.278712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.278712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.278712 (E_RNA)
where:
Base-Base interactions energy: -122.450
where: short stacking energy: -72.806
Base-Backbone interact. energy: 0.331
local terms energy: -77.159818
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -20.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -196.793950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.793950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.793950 (E_RNA)
where:
Base-Base interactions energy: -127.571
where: short stacking energy: -62.041
Base-Backbone interact. energy: 0.567
local terms energy: -69.789592
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -175.676166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.676166 (E_RNA)
where:
Base-Base interactions energy: -110.112
where: short stacking energy: -53.362
Base-Backbone interact. energy: -0.021
local terms energy: -65.542766
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -172.283099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.283099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.283099 (E_RNA)
where:
Base-Base interactions energy: -110.054
where: short stacking energy: -47.451
Base-Backbone interact. energy: 0.707
local terms energy: -62.936589
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -107.024139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.024139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.024139 (E_RNA)
where:
Base-Base interactions energy: -44.771
where: short stacking energy: -40.584
Base-Backbone interact. energy: -0.742
local terms energy: -61.511197
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -152.680688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.680688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.680688 (E_RNA)
where:
Base-Base interactions energy: -91.782
where: short stacking energy: -41.937
Base-Backbone interact. energy: -0.505
local terms energy: -60.393087
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -161.276199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.276199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.276199 (E_RNA)
where:
Base-Base interactions energy: -101.093
where: short stacking energy: -46.911
Base-Backbone interact. energy: -0.740
local terms energy: -59.443238
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -83.521922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.521922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.521922 (E_RNA)
where:
Base-Base interactions energy: -31.283
where: short stacking energy: -26.112
Base-Backbone interact. energy: -0.294
local terms energy: -51.945274
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -3.936
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: 10, replica: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -69.741509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.741509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.741509 (E_RNA)
where:
Base-Base interactions energy: -24.784
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.316
local terms energy: -44.642212
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: 4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -213.557156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.557156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.557156 (E_RNA)
where:
Base-Base interactions energy: -140.451
where: short stacking energy: -75.449
Base-Backbone interact. energy: -0.004
local terms energy: -73.102118
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -205.328169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.328169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.328169 (E_RNA)
where:
Base-Base interactions energy: -128.361
where: short stacking energy: -66.264
Base-Backbone interact. energy: -0.576
local terms energy: -76.391556
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -181.788462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.788462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.788462 (E_RNA)
where:
Base-Base interactions energy: -112.056
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.009
local terms energy: -69.723499
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -192.194248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.194248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.194248 (E_RNA)
where:
Base-Base interactions energy: -125.611
where: short stacking energy: -55.818
Base-Backbone interact. energy: 0.285
local terms energy: -66.868279
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -10.401
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: 35
Temperature: 1.100000
Total energy: -159.312554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.312554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.312554 (E_RNA)
where:
Base-Base interactions energy: -103.698
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.111
local terms energy: -55.503638
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -6.914
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: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -139.324776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.324776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.324776 (E_RNA)
where:
Base-Base interactions energy: -80.151
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.116
local terms energy: -59.058365
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -94.663467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.663467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.663467 (E_RNA)
where:
Base-Base interactions energy: -34.483
where: short stacking energy: -15.403
Base-Backbone interact. energy: -0.063
local terms energy: -60.117534
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -143.569340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.569340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.569340 (E_RNA)
where:
Base-Base interactions energy: -82.973
where: short stacking energy: -36.351
Base-Backbone interact. energy: -1.767
local terms energy: -58.829099
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -82.740093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.740093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.740093 (E_RNA)
where:
Base-Base interactions energy: -33.004
where: short stacking energy: -33.004
Base-Backbone interact. energy: -0.022
local terms energy: -49.714031
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -71.641976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.641976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.641976 (E_RNA)
where:
Base-Base interactions energy: -35.173
where: short stacking energy: -27.345
Base-Backbone interact. energy: -0.040
local terms energy: -36.429117
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -6.997
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -222.882011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.882011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.882011 (E_RNA)
where:
Base-Base interactions energy: -137.055
where: short stacking energy: -70.721
Base-Backbone interact. energy: -0.088
local terms energy: -85.738576
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -20.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -208.318424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.318424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.318424 (E_RNA)
where:
Base-Base interactions energy: -129.603
where: short stacking energy: -68.107
Base-Backbone interact. energy: -0.002
local terms energy: -78.713641
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -202.617192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.617192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.617192 (E_RNA)
where:
Base-Base interactions energy: -131.905
where: short stacking energy: -63.053
Base-Backbone interact. energy: -0.250
local terms energy: -70.462924
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -12.691
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: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -171.743989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.743989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.743989 (E_RNA)
where:
Base-Base interactions energy: -112.374
where: short stacking energy: -55.507
Base-Backbone interact. energy: -0.006
local terms energy: -59.364144
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -158.295780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.295780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.295780 (E_RNA)
where:
Base-Base interactions energy: -95.738
where: short stacking energy: -49.999
Base-Backbone interact. energy: 0.711
local terms energy: -63.268776
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -11.182
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: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -148.015673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.015673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.015673 (E_RNA)
where:
Base-Base interactions energy: -91.474
where: short stacking energy: -50.122
Base-Backbone interact. energy: -0.123
local terms energy: -56.418787
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -9.758
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -11.676
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: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -173.011504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.011504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.011504 (E_RNA)
where:
Base-Base interactions energy: -110.200
where: short stacking energy: -54.482
Base-Backbone interact. energy: -0.073
local terms energy: -62.738223
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -14.148
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: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -99.084827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.084827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.084827 (E_RNA)
where:
Base-Base interactions energy: -60.506
where: short stacking energy: -37.381
Base-Backbone interact. energy: 0.605
local terms energy: -39.183081
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -78.026558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.026558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.026558 (E_RNA)
where:
Base-Base interactions energy: -30.693
where: short stacking energy: -30.693
Base-Backbone interact. energy: 0.101
local terms energy: -47.434413
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -5.814
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: 10, replica: 4
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -81.517110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.517110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.517110 (E_RNA)
where:
Base-Base interactions energy: -34.253
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.164
local terms energy: -47.100115
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -215.252713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.252713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.252713 (E_RNA)
where:
Base-Base interactions energy: -134.796
where: short stacking energy: -73.237
Base-Backbone interact. energy: -0.018
local terms energy: -80.438750
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -203.120697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.120697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.120697 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -60.581
Base-Backbone interact. energy: -0.195
local terms energy: -68.748525
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -13.249
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: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -199.579467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.579467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.579467 (E_RNA)
where:
Base-Base interactions energy: -123.234
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.571
local terms energy: -75.774447
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -173.087631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.087631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.087631 (E_RNA)
where:
Base-Base interactions energy: -106.945
where: short stacking energy: -55.853
Base-Backbone interact. energy: 0.970
local terms energy: -67.112455
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -12.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -181.206777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.206777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.206777 (E_RNA)
where:
Base-Base interactions energy: -110.671
where: short stacking energy: -64.816
Base-Backbone interact. energy: -0.522
local terms energy: -70.014111
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -149.949239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.949239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.949239 (E_RNA)
where:
Base-Base interactions energy: -85.847
where: short stacking energy: -38.696
Base-Backbone interact. energy: 0.252
local terms energy: -64.353851
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -6.479
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: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -134.438338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.438338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.438338 (E_RNA)
where:
Base-Base interactions energy: -76.339
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.127
local terms energy: -57.972070
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -92.953176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.953176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.953176 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -39.028
Base-Backbone interact. energy: -0.104
local terms energy: -53.821452
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -81.946446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.946446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.946446 (E_RNA)
where:
Base-Base interactions energy: -41.337
where: short stacking energy: -40.069
Base-Backbone interact. energy: -0.111
local terms energy: -40.498245
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -78.196980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.196980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.196980 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -29.954
Base-Backbone interact. energy: 0.140
local terms energy: -48.382776
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -2.191
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: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -205.567114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.567114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.567114 (E_RNA)
where:
Base-Base interactions energy: -135.503
where: short stacking energy: -67.703
Base-Backbone interact. energy: -0.467
local terms energy: -69.596479
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -206.524450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.524450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.524450 (E_RNA)
where:
Base-Base interactions energy: -132.090
where: short stacking energy: -71.878
Base-Backbone interact. energy: -0.159
local terms energy: -74.275753
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -177.437456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.437456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.437456 (E_RNA)
where:
Base-Base interactions energy: -108.492
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.542
local terms energy: -68.403538
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -193.877841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.877841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.877841 (E_RNA)
where:
Base-Base interactions energy: -125.909
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.693
local terms energy: -67.276434
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -188.581960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.581960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.581960 (E_RNA)
where:
Base-Base interactions energy: -113.254
where: short stacking energy: -66.040
Base-Backbone interact. energy: -0.038
local terms energy: -75.289765
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -18.613
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: 38
Temperature: 1.150000
Total energy: -165.620877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.620877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.620877 (E_RNA)
where:
Base-Base interactions energy: -104.139
where: short stacking energy: -56.785
Base-Backbone interact. energy: -0.649
local terms energy: -60.833179
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -98.182097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.182097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.182097 (E_RNA)
where:
Base-Base interactions energy: -38.114
where: short stacking energy: -38.114
Base-Backbone interact. energy: -0.153
local terms energy: -59.915306
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -102.917340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.917340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.917340 (E_RNA)
where:
Base-Base interactions energy: -36.287
where: short stacking energy: -36.287
Base-Backbone interact. energy: -0.013
local terms energy: -66.617737
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -83.676103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.676103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.676103 (E_RNA)
where:
Base-Base interactions energy: -25.565
where: short stacking energy: -21.119
Base-Backbone interact. energy: -0.577
local terms energy: -57.534196
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -77.102283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.102283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.102283 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -27.002
Base-Backbone interact. energy: -0.219
local terms energy: -48.153072
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -209.249395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.249395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.249395 (E_RNA)
where:
Base-Base interactions energy: -132.102
where: short stacking energy: -64.856
Base-Backbone interact. energy: -0.009
local terms energy: -77.137986
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -211.085363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.085363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.085363 (E_RNA)
where:
Base-Base interactions energy: -133.396
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.002
local terms energy: -77.686965
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.074
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: 3, replica: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -178.621465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.621465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.621465 (E_RNA)
where:
Base-Base interactions energy: -105.855
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.001
local terms energy: -72.765630
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -186.667112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.667112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.667112 (E_RNA)
where:
Base-Base interactions energy: -126.482
where: short stacking energy: -54.850
Base-Backbone interact. energy: -0.013
local terms energy: -60.172258
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -5.124
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -160.120800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.120800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.120800 (E_RNA)
where:
Base-Base interactions energy: -89.028
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.017
local terms energy: -71.075440
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -161.539223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.539223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.539223 (E_RNA)
where:
Base-Base interactions energy: -105.670
where: short stacking energy: -49.006
Base-Backbone interact. energy: -0.299
local terms energy: -55.570471
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -96.839582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.839582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.839582 (E_RNA)
where:
Base-Base interactions energy: -40.442
where: short stacking energy: -40.442
Base-Backbone interact. energy: 0.248
local terms energy: -56.645473
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -89.658834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.658834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.658834 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -36.332
Base-Backbone interact. energy: -0.287
local terms energy: -53.040462
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -75.234563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.234563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.234563 (E_RNA)
where:
Base-Base interactions energy: -27.246
where: short stacking energy: -26.406
Base-Backbone interact. energy: 0.690
local terms energy: -48.678325
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -1.746
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: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -71.578674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.578674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.578674 (E_RNA)
where:
Base-Base interactions energy: -24.593
where: short stacking energy: -24.593
Base-Backbone interact. energy: -0.266
local terms energy: -46.719626
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: -1.233
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: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -214.840295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.840295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.840295 (E_RNA)
where:
Base-Base interactions energy: -133.894
where: short stacking energy: -71.392
Base-Backbone interact. energy: -0.021
local terms energy: -80.925932
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -11.292
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: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -204.491497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.491497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.491497 (E_RNA)
where:
Base-Base interactions energy: -123.606
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.572
local terms energy: -80.312928
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -18.057
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: 40
Temperature: 1.000000
Total energy: -178.040472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.040472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.040472 (E_RNA)
where:
Base-Base interactions energy: -110.154
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.050
local terms energy: -67.836179
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -184.609598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.609598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.609598 (E_RNA)
where:
Base-Base interactions energy: -117.707
where: short stacking energy: -51.116
Base-Backbone interact. energy: -0.501
local terms energy: -66.401910
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -7.680
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: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -187.591430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.591430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.591430 (E_RNA)
where:
Base-Base interactions energy: -118.368
where: short stacking energy: -72.785
Base-Backbone interact. energy: -0.037
local terms energy: -69.187059
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -18.247
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: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -156.025716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.025716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.025716 (E_RNA)
where:
Base-Base interactions energy: -101.209
where: short stacking energy: -53.628
Base-Backbone interact. energy: -0.519
local terms energy: -54.296869
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -95.267543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.267543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.267543 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -25.795
Base-Backbone interact. energy: -0.083
local terms energy: -56.871612
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -5.214
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: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -81.362744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.362744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.362744 (E_RNA)
where:
Base-Base interactions energy: -26.593
where: short stacking energy: -24.200
Base-Backbone interact. energy: -0.206
local terms energy: -54.563786
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -82.712059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.712059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.712059 (E_RNA)
where:
Base-Base interactions energy: -34.148
where: short stacking energy: -34.148
Base-Backbone interact. energy: -0.101
local terms energy: -48.463253
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -9.261
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: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -82.076967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.076967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.076967 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -23.706
Base-Backbone interact. energy: -0.667
local terms energy: -43.482764
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -218.422727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.422727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.422727 (E_RNA)
where:
Base-Base interactions energy: -136.090
where: short stacking energy: -70.675
Base-Backbone interact. energy: -0.655
local terms energy: -81.677750
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -191.124016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.124016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.124016 (E_RNA)
where:
Base-Base interactions energy: -113.937
where: short stacking energy: -65.551
Base-Backbone interact. energy: -0.293
local terms energy: -76.894228
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -195.347161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.347161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.347161 (E_RNA)
where:
Base-Base interactions energy: -125.736
where: short stacking energy: -64.371
Base-Backbone interact. energy: -0.050
local terms energy: -69.560493
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -191.112257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.112257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.112257 (E_RNA)
where:
Base-Base interactions energy: -124.767
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.010
local terms energy: -66.335029
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -164.567184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.567184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.567184 (E_RNA)
where:
Base-Base interactions energy: -101.865
where: short stacking energy: -52.205
Base-Backbone interact. energy: 0.219
local terms energy: -62.921774
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -11.052
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: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -157.910797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.910797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.910797 (E_RNA)
where:
Base-Base interactions energy: -99.612
where: short stacking energy: -51.837
Base-Backbone interact. energy: -0.117
local terms energy: -58.181935
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -7.862
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: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -109.539235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.539235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.539235 (E_RNA)
where:
Base-Base interactions energy: -48.230
where: short stacking energy: -48.230
Base-Backbone interact. energy: -0.115
local terms energy: -61.194972
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -82.550851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.550851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.550851 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -34.828
Base-Backbone interact. energy: 0.071
local terms energy: -47.794018
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -73.874809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.874809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.874809 (E_RNA)
where:
Base-Base interactions energy: -26.696
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.242
local terms energy: -46.936294
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -81.082594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.082594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.082594 (E_RNA)
where:
Base-Base interactions energy: -28.897
where: short stacking energy: -28.897
Base-Backbone interact. energy: -0.099
local terms energy: -52.086718
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -2.775
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: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -216.155576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.155576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.155576 (E_RNA)
where:
Base-Base interactions energy: -137.102
where: short stacking energy: -68.725
Base-Backbone interact. energy: -0.639
local terms energy: -78.415294
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -192.961629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.961629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.961629 (E_RNA)
where:
Base-Base interactions energy: -110.421
where: short stacking energy: -62.021
Base-Backbone interact. energy: -0.001
local terms energy: -82.539327
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -13.387
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: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -199.873108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.873108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.873108 (E_RNA)
where:
Base-Base interactions energy: -131.725
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.551
local terms energy: -67.597043
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -204.633493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.633493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.633493 (E_RNA)
where:
Base-Base interactions energy: -130.276
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.319
local terms energy: -74.038591
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -17.583
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: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -163.383603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.383603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.383603 (E_RNA)
where:
Base-Base interactions energy: -96.092
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.844
local terms energy: -66.448012
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -168.119270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.119270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.119270 (E_RNA)
where:
Base-Base interactions energy: -104.449
where: short stacking energy: -56.806
Base-Backbone interact. energy: -0.007
local terms energy: -63.662342
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -8.817
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -93.237873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.237873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.237873 (E_RNA)
where:
Base-Base interactions energy: -40.105
where: short stacking energy: -40.105
Base-Backbone interact. energy: -0.020
local terms energy: -53.112735
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -7.618
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: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -83.480456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.480456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.480456 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -35.472
Base-Backbone interact. energy: -0.038
local terms energy: -48.256557
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -3.412
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -77.318836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.318836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.318836 (E_RNA)
where:
Base-Base interactions energy: -31.337
where: short stacking energy: -29.533
Base-Backbone interact. energy: -0.092
local terms energy: -45.890013
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -3.836
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -76.548784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.548784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.548784 (E_RNA)
where:
Base-Base interactions energy: -25.917
where: short stacking energy: -25.917
Base-Backbone interact. energy: -0.210
local terms energy: -50.422080
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -7.561
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -2.696
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: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -218.801534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.801534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.801534 (E_RNA)
where:
Base-Base interactions energy: -138.527
where: short stacking energy: -69.500
Base-Backbone interact. energy: -0.002
local terms energy: -80.273222
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -206.765023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.765023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.765023 (E_RNA)
where:
Base-Base interactions energy: -133.573
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.547
local terms energy: -72.645176
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -191.349673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.349673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.349673 (E_RNA)
where:
Base-Base interactions energy: -113.225
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.152
local terms energy: -77.973308
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -199.082265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.082265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.082265 (E_RNA)
where:
Base-Base interactions energy: -129.855
where: short stacking energy: -62.671
Base-Backbone interact. energy: -0.421
local terms energy: -68.805912
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -174.597706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.597706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.597706 (E_RNA)
where:
Base-Base interactions energy: -103.540
where: short stacking energy: -54.219
Base-Backbone interact. energy: 0.042
local terms energy: -71.099476
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -184.369265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.369265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.369265 (E_RNA)
where:
Base-Base interactions energy: -116.240
where: short stacking energy: -64.466
Base-Backbone interact. energy: -0.095
local terms energy: -68.034438
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -88.128390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128390 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -27.027
Base-Backbone interact. energy: -0.250
local terms energy: -48.964308
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -1.841
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: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -94.973642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.973642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.973642 (E_RNA)
where:
Base-Base interactions energy: -37.820
where: short stacking energy: -37.588
Base-Backbone interact. energy: -0.068
local terms energy: -57.085770
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -8.147
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: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -78.655263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.655263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.655263 (E_RNA)
where:
Base-Base interactions energy: -23.867
where: short stacking energy: -21.781
Base-Backbone interact. energy: -0.394
local terms energy: -54.394668
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: 1.567
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: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -78.163038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.163038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.163038 (E_RNA)
where:
Base-Base interactions energy: -32.817
where: short stacking energy: -28.318
Base-Backbone interact. energy: 1.154
local terms energy: -46.500603
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -7.120
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -203.263475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.263475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.263475 (E_RNA)
where:
Base-Base interactions energy: -134.996
where: short stacking energy: -62.461
Base-Backbone interact. energy: -0.031
local terms energy: -68.235914
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -17.366
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: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -212.253429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.253429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.253429 (E_RNA)
where:
Base-Base interactions energy: -136.006
where: short stacking energy: -69.747
Base-Backbone interact. energy: -0.002
local terms energy: -76.244964
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -207.628723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.628723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.628723 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -60.522
Base-Backbone interact. energy: -0.052
local terms energy: -74.279752
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -188.843653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.843653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.843653 (E_RNA)
where:
Base-Base interactions energy: -110.329
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.088
local terms energy: -78.426490
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -176.143064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.143064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.143064 (E_RNA)
where:
Base-Base interactions energy: -105.253
where: short stacking energy: -55.084
Base-Backbone interact. energy: -0.098
local terms energy: -70.792455
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -12.685
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: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -173.429967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.429967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.429967 (E_RNA)
where:
Base-Base interactions energy: -111.306
where: short stacking energy: -55.657
Base-Backbone interact. energy: 1.765
local terms energy: -63.889405
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -11.465
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: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -101.676162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.676162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.676162 (E_RNA)
where:
Base-Base interactions energy: -45.820
where: short stacking energy: -31.973
Base-Backbone interact. energy: -0.141
local terms energy: -55.714920
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -2.073
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: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -85.796291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.796291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.796291 (E_RNA)
where:
Base-Base interactions energy: -31.045
where: short stacking energy: -30.169
Base-Backbone interact. energy: -0.096
local terms energy: -54.655253
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -91.093850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.093850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.093850 (E_RNA)
where:
Base-Base interactions energy: -43.699
where: short stacking energy: -22.246
Base-Backbone interact. energy: -0.253
local terms energy: -47.142108
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: 0.241
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: 44
Temperature: 1.350000
Total energy: -72.873706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.873706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.873706 (E_RNA)
where:
Base-Base interactions energy: -26.617
where: short stacking energy: -26.617
Base-Backbone interact. energy: -0.111
local terms energy: -46.146352
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -8.293
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -207.923532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.923532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.923532 (E_RNA)
where:
Base-Base interactions energy: -128.086
where: short stacking energy: -61.784
Base-Backbone interact. energy: 0.052
local terms energy: -79.889454
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -19.374
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: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -205.905660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.905660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.905660 (E_RNA)
where:
Base-Base interactions energy: -136.737
where: short stacking energy: -60.695
Base-Backbone interact. energy: -0.126
local terms energy: -69.042853
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -209.183489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.183489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.183489 (E_RNA)
where:
Base-Base interactions energy: -136.929
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.122
local terms energy: -72.132010
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -173.616438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.616438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.616438 (E_RNA)
where:
Base-Base interactions energy: -107.104
where: short stacking energy: -56.634
Base-Backbone interact. energy: -0.001
local terms energy: -66.511229
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -172.966266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.966266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.966266 (E_RNA)
where:
Base-Base interactions energy: -106.252
where: short stacking energy: -51.360
Base-Backbone interact. energy: -0.242
local terms energy: -66.472270
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -151.427536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.427536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.427536 (E_RNA)
where:
Base-Base interactions energy: -92.173
where: short stacking energy: -42.478
Base-Backbone interact. energy: -0.791
local terms energy: -58.463809
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -104.971560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.971560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.971560 (E_RNA)
where:
Base-Base interactions energy: -47.558
where: short stacking energy: -21.853
Base-Backbone interact. energy: -0.865
local terms energy: -56.548615
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -85.849418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.849418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.849418 (E_RNA)
where:
Base-Base interactions energy: -30.838
where: short stacking energy: -25.771
Base-Backbone interact. energy: 0.120
local terms energy: -55.130824
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -0.521
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: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -81.592309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.592309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.592309 (E_RNA)
where:
Base-Base interactions energy: -25.379
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.005
local terms energy: -56.208268
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -1.014
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -76.570113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.570113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.570113 (E_RNA)
where:
Base-Base interactions energy: -28.293
where: short stacking energy: -28.371
Base-Backbone interact. energy: -0.398
local terms energy: -47.878600
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -3.520
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: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -206.652125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.652125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.652125 (E_RNA)
where:
Base-Base interactions energy: -136.472
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.097
local terms energy: -70.083818
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -219.868999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.868999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.868999 (E_RNA)
where:
Base-Base interactions energy: -144.024
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.395
local terms energy: -75.450319
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -21.295
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: 46
Temperature: 1.000000
Total energy: -195.533961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.533961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.533961 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -58.101
Base-Backbone interact. energy: -0.613
local terms energy: -69.286753
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -175.320720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.320720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.320720 (E_RNA)
where:
Base-Base interactions energy: -108.939
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.063
local terms energy: -66.319507
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -15.597
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: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -165.852719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.852719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.852719 (E_RNA)
where:
Base-Base interactions energy: -103.671
where: short stacking energy: -53.999
Base-Backbone interact. energy: 0.769
local terms energy: -62.950254
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -2.016
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -160.836828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.836828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.836828 (E_RNA)
where:
Base-Base interactions energy: -97.442
where: short stacking energy: -47.753
Base-Backbone interact. energy: -0.081
local terms energy: -63.313654
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -10.803
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: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -84.408306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.408306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.408306 (E_RNA)
where:
Base-Base interactions energy: -41.197
where: short stacking energy: -38.623
Base-Backbone interact. energy: -0.163
local terms energy: -43.047875
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -7.971
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -109.194166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.194166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.194166 (E_RNA)
where:
Base-Base interactions energy: -58.103
where: short stacking energy: -25.636
Base-Backbone interact. energy: -0.196
local terms energy: -50.895345
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -0.931
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: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -80.239042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.239042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.239042 (E_RNA)
where:
Base-Base interactions energy: -24.383
where: short stacking energy: -24.383
Base-Backbone interact. energy: -0.111
local terms energy: -55.745073
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -75.435084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.435084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.435084 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.024
local terms energy: -45.650212
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -6.831
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: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -205.075225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.075225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.075225 (E_RNA)
where:
Base-Base interactions energy: -135.230
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.100
local terms energy: -69.744365
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -206.827179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.827179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.827179 (E_RNA)
where:
Base-Base interactions energy: -133.190
where: short stacking energy: -71.788
Base-Backbone interact. energy: 0.516
local terms energy: -74.153272
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -201.512660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.512660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.512660 (E_RNA)
where:
Base-Base interactions energy: -123.006
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.007
local terms energy: -78.499480
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -174.451787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.451787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.451787 (E_RNA)
where:
Base-Base interactions energy: -106.305
where: short stacking energy: -56.518
Base-Backbone interact. energy: -0.260
local terms energy: -67.886392
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -190.314964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.314964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.314964 (E_RNA)
where:
Base-Base interactions energy: -120.027
where: short stacking energy: -64.970
Base-Backbone interact. energy: -0.114
local terms energy: -70.174095
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -159.305658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.305658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.305658 (E_RNA)
where:
Base-Base interactions energy: -96.941
where: short stacking energy: -46.031
Base-Backbone interact. energy: -0.234
local terms energy: -62.130412
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -109.667034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.667034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.667034 (E_RNA)
where:
Base-Base interactions energy: -54.327
where: short stacking energy: -53.262
Base-Backbone interact. energy: -0.624
local terms energy: -54.716031
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -95.520220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.520220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.520220 (E_RNA)
where:
Base-Base interactions energy: -47.744
where: short stacking energy: -32.939
Base-Backbone interact. energy: -0.218
local terms energy: -47.557799
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -3.598
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: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -80.088933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.088933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.088933 (E_RNA)
where:
Base-Base interactions energy: -23.302
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.268
local terms energy: -56.518713
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -81.524943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.524943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.524943 (E_RNA)
where:
Base-Base interactions energy: -31.562
where: short stacking energy: -28.967
Base-Backbone interact. energy: -0.307
local terms energy: -49.655860
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -205.423056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.423056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.423056 (E_RNA)
where:
Base-Base interactions energy: -132.690
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.026
local terms energy: -72.707255
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -202.316683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.316683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.316683 (E_RNA)
where:
Base-Base interactions energy: -133.559
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.228
local terms energy: -68.529989
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -12.188
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: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -176.277518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.277518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.277518 (E_RNA)
where:
Base-Base interactions energy: -106.398
where: short stacking energy: -51.603
Base-Backbone interact. energy: -0.129
local terms energy: -69.749897
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -182.010072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.010072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.010072 (E_RNA)
where:
Base-Base interactions energy: -114.684
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.007
local terms energy: -67.318905
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -168.382575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.382575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.382575 (E_RNA)
where:
Base-Base interactions energy: -99.667
where: short stacking energy: -55.424
Base-Backbone interact. energy: -0.028
local terms energy: -68.687796
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -16.553
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -171.069667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.069667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.069667 (E_RNA)
where:
Base-Base interactions energy: -105.773
where: short stacking energy: -55.579
Base-Backbone interact. energy: -0.929
local terms energy: -64.368054
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -9.895
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: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -90.439423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.439423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.439423 (E_RNA)
where:
Base-Base interactions energy: -37.136
where: short stacking energy: -35.358
Base-Backbone interact. energy: -2.285
local terms energy: -51.018362
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -79.522005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522005 (E_RNA)
where:
Base-Base interactions energy: -34.711
where: short stacking energy: -22.041
Base-Backbone interact. energy: -0.284
local terms energy: -44.527145
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: 0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -78.823904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.823904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.823904 (E_RNA)
where:
Base-Base interactions energy: -34.015
where: short stacking energy: -34.015
Base-Backbone interact. energy: 1.506
local terms energy: -46.314614
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -8.497
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -89.624920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.624920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.624920 (E_RNA)
where:
Base-Base interactions energy: -40.568
where: short stacking energy: -21.287
Base-Backbone interact. energy: -0.042
local terms energy: -49.014180
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -7.152
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -214.014992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.014992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.014992 (E_RNA)
where:
Base-Base interactions energy: -146.412
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.111
local terms energy: -67.491952
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -198.209096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.209096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.209096 (E_RNA)
where:
Base-Base interactions energy: -125.719
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.416
local terms energy: -72.074398
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -18.012
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: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -175.578970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.578970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.578970 (E_RNA)
where:
Base-Base interactions energy: -102.890
where: short stacking energy: -49.317
Base-Backbone interact. energy: -0.019
local terms energy: -72.670310
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -195.558280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.558280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.558280 (E_RNA)
where:
Base-Base interactions energy: -121.428
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.019
local terms energy: -74.111577
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -19.239
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: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -166.602227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.602227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.602227 (E_RNA)
where:
Base-Base interactions energy: -100.901
where: short stacking energy: -49.907
Base-Backbone interact. energy: -0.102
local terms energy: -65.599177
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -13.906
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: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -155.361282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.361282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.361282 (E_RNA)
where:
Base-Base interactions energy: -88.089
where: short stacking energy: -45.110
Base-Backbone interact. energy: -0.576
local terms energy: -66.696297
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -87.934822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.934822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.934822 (E_RNA)
where:
Base-Base interactions energy: -45.410
where: short stacking energy: -35.377
Base-Backbone interact. energy: -0.804
local terms energy: -41.721126
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -8.765
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -82.599277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.599277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.599277 (E_RNA)
where:
Base-Base interactions energy: -31.747
where: short stacking energy: -24.736
Base-Backbone interact. energy: -0.068
local terms energy: -50.783792
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: 0.609
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: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -84.412084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.412084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.412084 (E_RNA)
where:
Base-Base interactions energy: -25.766
where: short stacking energy: -25.367
Base-Backbone interact. energy: -0.035
local terms energy: -58.610645
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.153
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: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -69.252273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.252273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.252273 (E_RNA)
where:
Base-Base interactions energy: -21.238
where: short stacking energy: -18.502
Base-Backbone interact. energy: -0.171
local terms energy: -47.843758
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: 4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -209.091155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.091155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.091155 (E_RNA)
where:
Base-Base interactions energy: -135.667
where: short stacking energy: -63.527
Base-Backbone interact. energy: -0.097
local terms energy: -73.326953
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -211.733511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.733511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.733511 (E_RNA)
where:
Base-Base interactions energy: -143.047
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.498
local terms energy: -68.187867
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -2.259
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: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -202.745519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.745519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.745519 (E_RNA)
where:
Base-Base interactions energy: -128.781
where: short stacking energy: -70.615
Base-Backbone interact. energy: -0.048
local terms energy: -73.916442
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -23.229
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: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -190.711551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.711551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.711551 (E_RNA)
where:
Base-Base interactions energy: -118.576
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.056
local terms energy: -72.079130
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -180.829938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.829938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.829938 (E_RNA)
where:
Base-Base interactions energy: -104.436
where: short stacking energy: -55.473
Base-Backbone interact. energy: -0.031
local terms energy: -76.362855
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -150.858994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.858994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.858994 (E_RNA)
where:
Base-Base interactions energy: -86.563
where: short stacking energy: -45.358
Base-Backbone interact. energy: -0.719
local terms energy: -63.576814
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -101.809559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.809559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.809559 (E_RNA)
where:
Base-Base interactions energy: -47.112
where: short stacking energy: -44.123
Base-Backbone interact. energy: -0.271
local terms energy: -54.427056
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -90.244601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.244601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.244601 (E_RNA)
where:
Base-Base interactions energy: -30.783
where: short stacking energy: -27.326
Base-Backbone interact. energy: -0.450
local terms energy: -59.012065
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -83.332285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.332285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.332285 (E_RNA)
where:
Base-Base interactions energy: -30.226
where: short stacking energy: -29.675
Base-Backbone interact. energy: -0.381
local terms energy: -52.725244
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -74.977242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.977242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.977242 (E_RNA)
where:
Base-Base interactions energy: -21.378
where: short stacking energy: -21.378
Base-Backbone interact. energy: -0.023
local terms energy: -53.576370
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -200.832270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.832270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.832270 (E_RNA)
where:
Base-Base interactions energy: -132.946
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.240
local terms energy: -67.646827
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -208.180898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.180898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.180898 (E_RNA)
where:
Base-Base interactions energy: -130.772
where: short stacking energy: -73.722
Base-Backbone interact. energy: -0.740
local terms energy: -76.668763
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -202.426776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.426776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.426776 (E_RNA)
where:
Base-Base interactions energy: -129.112
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.091
local terms energy: -73.223585
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -182.284248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.284248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.284248 (E_RNA)
where:
Base-Base interactions energy: -115.442
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.267
local terms energy: -66.575181
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -12.974
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: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -165.160888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.160888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.160888 (E_RNA)
where:
Base-Base interactions energy: -95.021
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.178
local terms energy: -69.962061
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -11.575
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: 51
Temperature: 1.150000
Total energy: -157.184877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.184877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.184877 (E_RNA)
where:
Base-Base interactions energy: -91.153
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.576
local terms energy: -65.455950
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -93.863278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.863278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.863278 (E_RNA)
where:
Base-Base interactions energy: -40.856
where: short stacking energy: -31.856
Base-Backbone interact. energy: -1.919
local terms energy: -51.088101
where:
bonds (distance) C4'-P energy: -5.975
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -95.589722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.589722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.589722 (E_RNA)
where:
Base-Base interactions energy: -36.168
where: short stacking energy: -31.618
Base-Backbone interact. energy: -1.872
local terms energy: -57.549528
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -96.210281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.210281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.210281 (E_RNA)
where:
Base-Base interactions energy: -47.841
where: short stacking energy: -34.149
Base-Backbone interact. energy: -0.034
local terms energy: -48.335544
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -3.969
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: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -84.176088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.176088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.176088 (E_RNA)
where:
Base-Base interactions energy: -31.416
where: short stacking energy: -19.942
Base-Backbone interact. energy: -0.050
local terms energy: -52.710195
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -2.792
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: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -210.096704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.096704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.096704 (E_RNA)
where:
Base-Base interactions energy: -135.871
where: short stacking energy: -71.579
Base-Backbone interact. energy: -0.009
local terms energy: -74.217073
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.893
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: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -196.650467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.650467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.650467 (E_RNA)
where:
Base-Base interactions energy: -128.107
where: short stacking energy: -62.490
Base-Backbone interact. energy: -0.301
local terms energy: -68.242427
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -16.242
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: 3, replica: 8
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -199.483902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.483902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.483902 (E_RNA)
where:
Base-Base interactions energy: -128.426
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.017
local terms energy: -71.040349
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -18.148
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: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -192.166014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.166014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.166014 (E_RNA)
where:
Base-Base interactions energy: -119.764
where: short stacking energy: -65.132
Base-Backbone interact. energy: -0.003
local terms energy: -72.398202
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -162.449841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.449841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.449841 (E_RNA)
where:
Base-Base interactions energy: -91.897
where: short stacking energy: -45.904
Base-Backbone interact. energy: -0.209
local terms energy: -70.343341
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.109
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: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -153.709389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.709389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.709389 (E_RNA)
where:
Base-Base interactions energy: -93.476
where: short stacking energy: -47.206
Base-Backbone interact. energy: -0.006
local terms energy: -60.227574
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -9.607
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -92.219490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.219490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.219490 (E_RNA)
where:
Base-Base interactions energy: -28.646
where: short stacking energy: -28.395
Base-Backbone interact. energy: -0.581
local terms energy: -62.993175
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -4.508
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: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -83.703976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.703976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.703976 (E_RNA)
where:
Base-Base interactions energy: -32.188
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.301
local terms energy: -51.214506
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -84.710931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.710931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.710931 (E_RNA)
where:
Base-Base interactions energy: -31.776
where: short stacking energy: -30.434
Base-Backbone interact. energy: -0.209
local terms energy: -52.726236
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -2.936
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: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -82.509586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509586 (E_RNA)
where:
Base-Base interactions energy: -26.877
where: short stacking energy: -26.877
Base-Backbone interact. energy: 0.023
local terms energy: -55.655438
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -214.798120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.798120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.798120 (E_RNA)
where:
Base-Base interactions energy: -137.286
where: short stacking energy: -73.237
Base-Backbone interact. energy: -0.730
local terms energy: -76.782498
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -10.626
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: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -204.078124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.078124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.078124 (E_RNA)
where:
Base-Base interactions energy: -127.030
where: short stacking energy: -60.488
Base-Backbone interact. energy: 0.294
local terms energy: -77.342041
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -193.722268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.722268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.722268 (E_RNA)
where:
Base-Base interactions energy: -123.637
where: short stacking energy: -58.527
Base-Backbone interact. energy: -0.073
local terms energy: -70.011885
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -169.632370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.632370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.632370 (E_RNA)
where:
Base-Base interactions energy: -98.736
where: short stacking energy: -52.947
Base-Backbone interact. energy: -0.012
local terms energy: -70.884053
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -12.142
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: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -176.240087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.240087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.240087 (E_RNA)
where:
Base-Base interactions energy: -106.516
where: short stacking energy: -59.136
Base-Backbone interact. energy: -1.367
local terms energy: -68.357328
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -10.771
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: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -164.578720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.578720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.578720 (E_RNA)
where:
Base-Base interactions energy: -105.456
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.948
local terms energy: -58.174489
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -11.073
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: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -90.650716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.650716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.650716 (E_RNA)
where:
Base-Base interactions energy: -40.302
where: short stacking energy: -38.847
Base-Backbone interact. energy: 0.933
local terms energy: -51.281125
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -9.190
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -6.210
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: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -139.502871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.502871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.502871 (E_RNA)
where:
Base-Base interactions energy: -84.588
where: short stacking energy: -42.877
Base-Backbone interact. energy: -1.595
local terms energy: -53.319493
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -9.666
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: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -80.903252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.903252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.903252 (E_RNA)
where:
Base-Base interactions energy: -38.813
where: short stacking energy: -33.979
Base-Backbone interact. energy: -0.115
local terms energy: -41.975396
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -9.130
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -72.231909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.231909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.231909 (E_RNA)
where:
Base-Base interactions energy: -27.014
where: short stacking energy: -23.156
Base-Backbone interact. energy: -0.082
local terms energy: -45.136010
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -211.888429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.888429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.888429 (E_RNA)
where:
Base-Base interactions energy: -132.187
where: short stacking energy: -69.815
Base-Backbone interact. energy: -0.053
local terms energy: -79.648008
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -203.440924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.440924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.440924 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -67.125
Base-Backbone interact. energy: -0.251
local terms energy: -70.980200
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -19.122
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: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -179.959071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.959071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.959071 (E_RNA)
where:
Base-Base interactions energy: -114.562
where: short stacking energy: -60.118
Base-Backbone interact. energy: -0.156
local terms energy: -65.241049
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -14.120
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: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -190.766820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.766820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.766820 (E_RNA)
where:
Base-Base interactions energy: -121.585
where: short stacking energy: -63.221
Base-Backbone interact. energy: -0.059
local terms energy: -69.122425
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.057
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: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -158.223028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.223028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.223028 (E_RNA)
where:
Base-Base interactions energy: -96.136
where: short stacking energy: -39.742
Base-Backbone interact. energy: -0.288
local terms energy: -61.799739
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -7.769
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: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -155.574080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.574080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.574080 (E_RNA)
where:
Base-Base interactions energy: -91.728
where: short stacking energy: -51.309
Base-Backbone interact. energy: -0.006
local terms energy: -63.840226
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -12.261
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: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -148.841717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.841717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.841717 (E_RNA)
where:
Base-Base interactions energy: -81.339
where: short stacking energy: -42.934
Base-Backbone interact. energy: -0.014
local terms energy: -67.488887
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -88.730604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.730604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.730604 (E_RNA)
where:
Base-Base interactions energy: -45.679
where: short stacking energy: -23.523
Base-Backbone interact. energy: 2.113
local terms energy: -45.164943
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -6.711
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: 4.059
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: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -78.648918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.648918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.648918 (E_RNA)
where:
Base-Base interactions energy: -29.987
where: short stacking energy: -29.987
Base-Backbone interact. energy: -1.306
local terms energy: -47.355616
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -82.457177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.457177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.457177 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -31.574
Base-Backbone interact. energy: 1.155
local terms energy: -48.969621
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -3.696
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: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -209.918221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.918221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.918221 (E_RNA)
where:
Base-Base interactions energy: -135.520
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.003
local terms energy: -74.395553
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -9.808
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: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -211.041235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.041235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.041235 (E_RNA)
where:
Base-Base interactions energy: -130.898
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.249
local terms energy: -79.894781
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -11.823
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: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -170.551528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.551528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.551528 (E_RNA)
where:
Base-Base interactions energy: -99.701
where: short stacking energy: -56.089
Base-Backbone interact. energy: -0.043
local terms energy: -70.807517
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -12.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -179.252855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.252855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.252855 (E_RNA)
where:
Base-Base interactions energy: -120.456
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.156
local terms energy: -58.641064
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -7.529
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: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -162.794018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.794018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.794018 (E_RNA)
where:
Base-Base interactions energy: -98.265
where: short stacking energy: -48.041
Base-Backbone interact. energy: -0.501
local terms energy: -64.028367
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -159.153811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.153811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.153811 (E_RNA)
where:
Base-Base interactions energy: -92.542
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.495
local terms energy: -66.116657
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -13.042
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: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -166.967085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.967085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.967085 (E_RNA)
where:
Base-Base interactions energy: -91.691
where: short stacking energy: -49.762
Base-Backbone interact. energy: -0.801
local terms energy: -74.475584
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -84.277156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.277156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.277156 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -26.058
Base-Backbone interact. energy: -0.067
local terms energy: -51.330796
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -2.892
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: 55
Temperature: 1.300000
Total energy: -78.798136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.798136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.798136 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -29.277
Base-Backbone interact. energy: -0.111
local terms energy: -49.410914
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -0.232
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: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -71.547888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.547888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.547888 (E_RNA)
where:
Base-Base interactions energy: -26.684
where: short stacking energy: -26.562
Base-Backbone interact. energy: 0.208
local terms energy: -45.071816
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -3.613
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: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -210.897850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.897850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.897850 (E_RNA)
where:
Base-Base interactions energy: -133.541
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.212
local terms energy: -77.144086
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -204.642994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.642994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.642994 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.036
local terms energy: -77.539153
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -191.417692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.417692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.417692 (E_RNA)
where:
Base-Base interactions energy: -123.233
where: short stacking energy: -55.207
Base-Backbone interact. energy: 0.584
local terms energy: -68.769292
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -173.783804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.783804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.783804 (E_RNA)
where:
Base-Base interactions energy: -105.628
where: short stacking energy: -46.476
Base-Backbone interact. energy: -0.628
local terms energy: -67.527335
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -14.484
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: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -160.742684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.742684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.742684 (E_RNA)
where:
Base-Base interactions energy: -97.761
where: short stacking energy: -56.598
Base-Backbone interact. energy: -0.324
local terms energy: -62.657259
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -15.240
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: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -154.278657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.278657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.278657 (E_RNA)
where:
Base-Base interactions energy: -88.935
where: short stacking energy: -41.037
Base-Backbone interact. energy: -0.625
local terms energy: -64.718231
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -157.093012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.093012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.093012 (E_RNA)
where:
Base-Base interactions energy: -97.830
where: short stacking energy: -51.913
Base-Backbone interact. energy: -0.157
local terms energy: -59.106000
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -8.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -83.706882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.706882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.706882 (E_RNA)
where:
Base-Base interactions energy: -26.988
where: short stacking energy: -24.710
Base-Backbone interact. energy: -0.083
local terms energy: -56.636013
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -101.243520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.243520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.243520 (E_RNA)
where:
Base-Base interactions energy: -51.896
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.099
local terms energy: -49.248858
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -4.241
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: 56
Temperature: 1.350000
Total energy: -75.994335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.994335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.994335 (E_RNA)
where:
Base-Base interactions energy: -26.571
where: short stacking energy: -15.096
Base-Backbone interact. energy: -1.393
local terms energy: -48.030183
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: 0.999
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: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -210.974967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.974967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.974967 (E_RNA)
where:
Base-Base interactions energy: -132.876
where: short stacking energy: -70.638
Base-Backbone interact. energy: -0.008
local terms energy: -78.090715
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -20.275
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: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -207.220447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.220447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.220447 (E_RNA)
where:
Base-Base interactions energy: -129.799
where: short stacking energy: -63.438
Base-Backbone interact. energy: -0.165
local terms energy: -77.256481
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -19.716
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: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -199.147483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.147483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147483 (E_RNA)
where:
Base-Base interactions energy: -128.527
where: short stacking energy: -59.960
Base-Backbone interact. energy: -0.652
local terms energy: -69.968284
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -13.362
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: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -175.818224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.818224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.818224 (E_RNA)
where:
Base-Base interactions energy: -103.544
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.329
local terms energy: -71.945619
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -173.132176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.132176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.132176 (E_RNA)
where:
Base-Base interactions energy: -108.572
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.702
local terms energy: -63.858283
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -11.683
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: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -164.655649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.655649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.655649 (E_RNA)
where:
Base-Base interactions energy: -102.586
where: short stacking energy: -48.963
Base-Backbone interact. energy: -0.075
local terms energy: -61.994325
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -147.002194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.002194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.002194 (E_RNA)
where:
Base-Base interactions energy: -98.978
where: short stacking energy: -44.099
Base-Backbone interact. energy: 0.122
local terms energy: -48.146749
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -84.014116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.014116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.014116 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -30.016
Base-Backbone interact. energy: 0.134
local terms energy: -54.011454
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -5.351
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: 57
Temperature: 1.300000
Total energy: -72.519423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.519423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.519423 (E_RNA)
where:
Base-Base interactions energy: -23.159
where: short stacking energy: -22.993
Base-Backbone interact. energy: -0.265
local terms energy: -49.095495
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -83.243003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.243003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.243003 (E_RNA)
where:
Base-Base interactions energy: -23.287
where: short stacking energy: -22.995
Base-Backbone interact. energy: -0.022
local terms energy: -59.933633
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -211.829259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.829259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.829259 (E_RNA)
where:
Base-Base interactions energy: -134.987
where: short stacking energy: -68.075
Base-Backbone interact. energy: -0.067
local terms energy: -76.775100
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -206.311352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.311352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.311352 (E_RNA)
where:
Base-Base interactions energy: -139.304
where: short stacking energy: -70.966
Base-Backbone interact. energy: -0.121
local terms energy: -66.886360
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -8.839
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: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -194.751887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.751887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.751887 (E_RNA)
where:
Base-Base interactions energy: -126.282
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.101
local terms energy: -68.368411
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -171.058696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.058696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.058696 (E_RNA)
where:
Base-Base interactions energy: -98.323
where: short stacking energy: -52.869
Base-Backbone interact. energy: -1.227
local terms energy: -71.508378
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -13.089
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: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -171.846773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.846773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.846773 (E_RNA)
where:
Base-Base interactions energy: -106.394
where: short stacking energy: -53.651
Base-Backbone interact. energy: -0.110
local terms energy: -65.342642
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -160.648020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.648020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.648020 (E_RNA)
where:
Base-Base interactions energy: -100.298
where: short stacking energy: -52.006
Base-Backbone interact. energy: -0.012
local terms energy: -60.338008
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -90.753954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.753954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.753954 (E_RNA)
where:
Base-Base interactions energy: -37.434
where: short stacking energy: -37.434
Base-Backbone interact. energy: -0.169
local terms energy: -53.151151
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -11.384
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: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -154.453594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.453594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.453594 (E_RNA)
where:
Base-Base interactions energy: -88.726
where: short stacking energy: -47.669
Base-Backbone interact. energy: -0.173
local terms energy: -65.554792
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -82.314428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.314428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.314428 (E_RNA)
where:
Base-Base interactions energy: -32.529
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.401
local terms energy: -49.384740
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: 0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -85.668928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.668928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.668928 (E_RNA)
where:
Base-Base interactions energy: -29.968
where: short stacking energy: -29.968
Base-Backbone interact. energy: -0.273
local terms energy: -55.427771
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -201.218622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.218622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.218622 (E_RNA)
where:
Base-Base interactions energy: -129.604
where: short stacking energy: -65.604
Base-Backbone interact. energy: -0.042
local terms energy: -71.572372
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -208.613374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.613374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.613374 (E_RNA)
where:
Base-Base interactions energy: -133.425
where: short stacking energy: -71.599
Base-Backbone interact. energy: -0.001
local terms energy: -75.186601
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -17.821
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: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -199.027521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.027521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.027521 (E_RNA)
where:
Base-Base interactions energy: -130.092
where: short stacking energy: -63.568
Base-Backbone interact. energy: -0.470
local terms energy: -68.465268
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -181.571771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.571771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.571771 (E_RNA)
where:
Base-Base interactions energy: -111.774
where: short stacking energy: -55.870
Base-Backbone interact. energy: -0.100
local terms energy: -69.697913
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -164.022123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.022123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.022123 (E_RNA)
where:
Base-Base interactions energy: -103.046
where: short stacking energy: -62.373
Base-Backbone interact. energy: -0.176
local terms energy: -60.800120
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -94.732182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.732182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.732182 (E_RNA)
where:
Base-Base interactions energy: -42.381
where: short stacking energy: -42.381
Base-Backbone interact. energy: -0.010
local terms energy: -52.341466
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -121.036269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.036269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.036269 (E_RNA)
where:
Base-Base interactions energy: -60.749
where: short stacking energy: -29.869
Base-Backbone interact. energy: -0.469
local terms energy: -59.818337
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -12.877
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: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -149.274397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.274397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.274397 (E_RNA)
where:
Base-Base interactions energy: -92.212
where: short stacking energy: -42.032
Base-Backbone interact. energy: -0.060
local terms energy: -57.002655
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -87.567730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.567730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.567730 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.762
local terms energy: -49.989775
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: 1.328
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: 59
Temperature: 1.350000
Total energy: -79.407009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.407009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.407009 (E_RNA)
where:
Base-Base interactions energy: -25.316
where: short stacking energy: -23.949
Base-Backbone interact. energy: -0.303
local terms energy: -53.788085
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: 1.218
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: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -217.953200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.953200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.953200 (E_RNA)
where:
Base-Base interactions energy: -133.287
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.666
local terms energy: -84.000596
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -21.650
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: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -209.749509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.749509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.749509 (E_RNA)
where:
Base-Base interactions energy: -132.965
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.040
local terms energy: -76.744846
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -176.347269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.347269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.347269 (E_RNA)
where:
Base-Base interactions energy: -113.452
where: short stacking energy: -64.405
Base-Backbone interact. energy: 1.108
local terms energy: -64.003992
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -190.602356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.602356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.602356 (E_RNA)
where:
Base-Base interactions energy: -122.816
where: short stacking energy: -57.372
Base-Backbone interact. energy: -0.320
local terms energy: -67.466525
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -10.701
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: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -170.151171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.151171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.151171 (E_RNA)
where:
Base-Base interactions energy: -103.577
where: short stacking energy: -51.470
Base-Backbone interact. energy: -0.464
local terms energy: -66.110371
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -107.931596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.931596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.931596 (E_RNA)
where:
Base-Base interactions energy: -49.118
where: short stacking energy: -36.596
Base-Backbone interact. energy: -0.003
local terms energy: -58.811308
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -9.240
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: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -155.812411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.812411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.812411 (E_RNA)
where:
Base-Base interactions energy: -92.417
where: short stacking energy: -42.850
Base-Backbone interact. energy: -0.586
local terms energy: -62.809583
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -87.976224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.976224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.976224 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -34.712
Base-Backbone interact. energy: 0.249
local terms energy: -53.633801
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -6.929
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: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -86.117476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.117476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.117476 (E_RNA)
where:
Base-Base interactions energy: -38.522
where: short stacking energy: -36.222
Base-Backbone interact. energy: -0.284
local terms energy: -47.311344
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -2.606
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -81.874690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.874690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.874690 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -24.198
Base-Backbone interact. energy: -0.240
local terms energy: -48.434530
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -1.050
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: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -217.229205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.229205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.229205 (E_RNA)
where:
Base-Base interactions energy: -138.894
where: short stacking energy: -62.153
Base-Backbone interact. energy: -0.054
local terms energy: -78.281268
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -19.378
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: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -198.473740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.473740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.473740 (E_RNA)
where:
Base-Base interactions energy: -125.663
where: short stacking energy: -57.709
Base-Backbone interact. energy: -0.092
local terms energy: -72.719234
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -179.733642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.733642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.733642 (E_RNA)
where:
Base-Base interactions energy: -114.182
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.215
local terms energy: -65.336804
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -181.036383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.036383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.036383 (E_RNA)
where:
Base-Base interactions energy: -112.457
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.013
local terms energy: -68.566312
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -16.137
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: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -183.835987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.835987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.835987 (E_RNA)
where:
Base-Base interactions energy: -114.935
where: short stacking energy: -54.944
Base-Backbone interact. energy: -0.147
local terms energy: -68.754027
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -172.421972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.421972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.421972 (E_RNA)
where:
Base-Base interactions energy: -104.465
where: short stacking energy: -54.633
Base-Backbone interact. energy: -0.082
local terms energy: -67.874607
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -83.058776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.058776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.058776 (E_RNA)
where:
Base-Base interactions energy: -34.735
where: short stacking energy: -32.808
Base-Backbone interact. energy: -0.136
local terms energy: -48.187916
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -5.869
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -95.241645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.241645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.241645 (E_RNA)
where:
Base-Base interactions energy: -38.793
where: short stacking energy: -38.793
Base-Backbone interact. energy: 0.618
local terms energy: -57.066549
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -84.949241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.949241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.949241 (E_RNA)
where:
Base-Base interactions energy: -29.020
where: short stacking energy: -28.282
Base-Backbone interact. energy: -0.049
local terms energy: -55.880178
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -77.646012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.646012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.646012 (E_RNA)
where:
Base-Base interactions energy: -31.158
where: short stacking energy: -23.847
Base-Backbone interact. energy: -0.088
local terms energy: -46.399974
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: 1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -220.282181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.282181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.282181 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -71.292
Base-Backbone interact. energy: -0.038
local terms energy: -77.875172
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -189.586315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.586315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.586315 (E_RNA)
where:
Base-Base interactions energy: -117.998
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.421
local terms energy: -71.167621
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -13.443
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: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -202.683933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.683933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.683933 (E_RNA)
where:
Base-Base interactions energy: -127.975
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.513
local terms energy: -74.195630
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -21.228
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: 62
Temperature: 1.050000
Total energy: -169.797257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.797257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.797257 (E_RNA)
where:
Base-Base interactions energy: -100.901
where: short stacking energy: -48.455
Base-Backbone interact. energy: -0.195
local terms energy: -68.701048
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.790
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: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -185.106945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.106945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.106945 (E_RNA)
where:
Base-Base interactions energy: -126.617
where: short stacking energy: -57.067
Base-Backbone interact. energy: -0.254
local terms energy: -58.235181
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -150.826899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.826899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.826899 (E_RNA)
where:
Base-Base interactions energy: -89.070
where: short stacking energy: -50.703
Base-Backbone interact. energy: -0.015
local terms energy: -61.742411
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -13.011
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: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -85.098688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.098688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.098688 (E_RNA)
where:
Base-Base interactions energy: -33.275
where: short stacking energy: -25.961
Base-Backbone interact. energy: 0.149
local terms energy: -51.972501
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: 1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -82.424026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.424026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.424026 (E_RNA)
where:
Base-Base interactions energy: -28.936
where: short stacking energy: -28.936
Base-Backbone interact. energy: 0.719
local terms energy: -54.207630
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -5.699
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: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -83.527759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.527759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.527759 (E_RNA)
where:
Base-Base interactions energy: -33.532
where: short stacking energy: -28.197
Base-Backbone interact. energy: -0.552
local terms energy: -49.444114
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -9.001
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: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.619529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.619529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.619529 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -27.313
Base-Backbone interact. energy: -0.246
local terms energy: -47.449663
where:
bonds (distance) C4'-P energy: -6.215
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -225.091305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.091305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.091305 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -77.522
Base-Backbone interact. energy: -0.579
local terms energy: -82.277313
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -186.636144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.636144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.636144 (E_RNA)
where:
Base-Base interactions energy: -113.589
where: short stacking energy: -59.876
Base-Backbone interact. energy: -0.465
local terms energy: -72.581625
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -203.147087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.147087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.147087 (E_RNA)
where:
Base-Base interactions energy: -140.943
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.076
local terms energy: -62.127303
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -17.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -196.971349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.971349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.971349 (E_RNA)
where:
Base-Base interactions energy: -128.888
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.222
local terms energy: -67.861619
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -168.390699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.390699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390699 (E_RNA)
where:
Base-Base interactions energy: -103.425
where: short stacking energy: -49.306
Base-Backbone interact. energy: -0.121
local terms energy: -64.844182
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -10.747
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: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -165.004001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.004001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.004001 (E_RNA)
where:
Base-Base interactions energy: -107.901
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.461
local terms energy: -56.641300
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -87.998452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.998452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.998452 (E_RNA)
where:
Base-Base interactions energy: -39.455
where: short stacking energy: -28.536
Base-Backbone interact. energy: -0.530
local terms energy: -48.013096
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -82.315410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.315410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.315410 (E_RNA)
where:
Base-Base interactions energy: -35.443
where: short stacking energy: -35.443
Base-Backbone interact. energy: -0.048
local terms energy: -46.823991
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: 0.260
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: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -78.864691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.864691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.864691 (E_RNA)
where:
Base-Base interactions energy: -32.851
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.186
local terms energy: -45.827775
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -81.716990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.716990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.716990 (E_RNA)
where:
Base-Base interactions energy: -36.467
where: short stacking energy: -34.157
Base-Backbone interact. energy: -0.008
local terms energy: -45.241486
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -224.091503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.091503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.091503 (E_RNA)
where:
Base-Base interactions energy: -137.314
where: short stacking energy: -70.627
Base-Backbone interact. energy: -0.280
local terms energy: -86.497868
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -190.697965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.697965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.697965 (E_RNA)
where:
Base-Base interactions energy: -118.188
where: short stacking energy: -64.841
Base-Backbone interact. energy: 0.542
local terms energy: -73.051171
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -191.457422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.457422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.457422 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -56.785
Base-Backbone interact. energy: -0.344
local terms energy: -68.041139
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -17.418
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: 64
Temperature: 1.050000
Total energy: -193.887682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.887682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.887682 (E_RNA)
where:
Base-Base interactions energy: -123.282
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.079
local terms energy: -70.526399
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -16.697
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: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -167.807214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.807214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.807214 (E_RNA)
where:
Base-Base interactions energy: -105.558
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.085
local terms energy: -62.164174
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -13.058
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: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -157.076794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.076794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.076794 (E_RNA)
where:
Base-Base interactions energy: -91.430
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.015
local terms energy: -65.631776
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -6.225
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: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -84.517485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.517485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.517485 (E_RNA)
where:
Base-Base interactions energy: -29.287
where: short stacking energy: -29.287
Base-Backbone interact. energy: 0.136
local terms energy: -55.366075
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -91.669704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.669704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.669704 (E_RNA)
where:
Base-Base interactions energy: -39.281
where: short stacking energy: -38.618
Base-Backbone interact. energy: -0.241
local terms energy: -52.147790
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -77.274251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.274251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.274251 (E_RNA)
where:
Base-Base interactions energy: -25.058
where: short stacking energy: -23.177
Base-Backbone interact. energy: -0.049
local terms energy: -52.166879
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -79.210875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.210875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.210875 (E_RNA)
where:
Base-Base interactions energy: -28.400
where: short stacking energy: -24.871
Base-Backbone interact. energy: -0.227
local terms energy: -50.584495
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -4.151
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: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -214.932150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.932150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.932150 (E_RNA)
where:
Base-Base interactions energy: -138.903
where: short stacking energy: -75.084
Base-Backbone interact. energy: -1.912
local terms energy: -74.116999
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -20.850
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: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -203.810405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.810405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.810405 (E_RNA)
where:
Base-Base interactions energy: -138.398
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.435
local terms energy: -64.977593
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -15.563
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -189.329496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.329496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.329496 (E_RNA)
where:
Base-Base interactions energy: -116.010
where: short stacking energy: -61.625
Base-Backbone interact. energy: -0.466
local terms energy: -72.853178
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -17.733
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: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -181.853219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.853219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.853219 (E_RNA)
where:
Base-Base interactions energy: -112.464
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.903
local terms energy: -68.486107
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -182.803939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.803939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.803939 (E_RNA)
where:
Base-Base interactions energy: -114.763
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.764
local terms energy: -67.276556
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -17.225
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: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -159.245858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.245858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.245858 (E_RNA)
where:
Base-Base interactions energy: -98.389
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.478
local terms energy: -60.379109
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -96.109430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.109430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.109430 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -32.761
Base-Backbone interact. energy: -0.086
local terms energy: -63.239711
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -87.700629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.700629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.700629 (E_RNA)
where:
Base-Base interactions energy: -32.523
where: short stacking energy: -21.055
Base-Backbone interact. energy: 0.015
local terms energy: -55.192980
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -2.379
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: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -82.858114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.858114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.858114 (E_RNA)
where:
Base-Base interactions energy: -29.489
where: short stacking energy: -25.236
Base-Backbone interact. energy: -0.035
local terms energy: -53.334538
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -76.855421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.855421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.855421 (E_RNA)
where:
Base-Base interactions energy: -39.446
where: short stacking energy: -22.733
Base-Backbone interact. energy: -0.176
local terms energy: -37.233330
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -9.006
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -7.908
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: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -206.672563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.672563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.672563 (E_RNA)
where:
Base-Base interactions energy: -137.377
where: short stacking energy: -58.843
Base-Backbone interact. energy: -0.151
local terms energy: -69.145178
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -13.647
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: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -218.391722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.391722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.391722 (E_RNA)
where:
Base-Base interactions energy: -133.325
where: short stacking energy: -67.127
Base-Backbone interact. energy: -3.426
local terms energy: -81.640638
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -19.236
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: 66
Temperature: 1.000000
Total energy: -181.333584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.333584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.333584 (E_RNA)
where:
Base-Base interactions energy: -112.231
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.052
local terms energy: -69.051069
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -175.063402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.063402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.063402 (E_RNA)
where:
Base-Base interactions energy: -107.076
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.100
local terms energy: -67.887280
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -14.938
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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -189.718433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.718433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.718433 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -50.507
Base-Backbone interact. energy: -0.061
local terms energy: -75.413719
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -176.625096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.625096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.625096 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -59.004
Base-Backbone interact. energy: -0.470
local terms energy: -65.055799
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -14.844
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: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -88.171406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.171406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.171406 (E_RNA)
where:
Base-Base interactions energy: -29.431
where: short stacking energy: -19.766
Base-Backbone interact. energy: -0.212
local terms energy: -58.528012
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -79.393308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.393308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.393308 (E_RNA)
where:
Base-Base interactions energy: -35.702
where: short stacking energy: -34.953
Base-Backbone interact. energy: -0.160
local terms energy: -43.531548
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -2.878
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -3.459
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: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -79.300095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.300095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.300095 (E_RNA)
where:
Base-Base interactions energy: -26.375
where: short stacking energy: -23.424
Base-Backbone interact. energy: -0.165
local terms energy: -52.759813
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -71.281783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.281783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.281783 (E_RNA)
where:
Base-Base interactions energy: -21.354
where: short stacking energy: -18.505
Base-Backbone interact. energy: -0.344
local terms energy: -49.583998
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: 4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -211.805685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.805685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.805685 (E_RNA)
where:
Base-Base interactions energy: -134.851
where: short stacking energy: -65.187
Base-Backbone interact. energy: -0.055
local terms energy: -76.899957
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -213.681111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.681111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.681111 (E_RNA)
where:
Base-Base interactions energy: -135.169
where: short stacking energy: -69.841
Base-Backbone interact. energy: -0.080
local terms energy: -78.432019
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -178.058644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.058644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.058644 (E_RNA)
where:
Base-Base interactions energy: -102.758
where: short stacking energy: -56.613
Base-Backbone interact. energy: -0.014
local terms energy: -75.286090
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -193.179942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.179942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.179942 (E_RNA)
where:
Base-Base interactions energy: -128.539
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.431
local terms energy: -64.209995
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -169.233459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.233459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.233459 (E_RNA)
where:
Base-Base interactions energy: -103.604
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.050
local terms energy: -65.579476
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -12.887
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: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -100.978028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.978028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.978028 (E_RNA)
where:
Base-Base interactions energy: -48.098
where: short stacking energy: -38.838
Base-Backbone interact. energy: -0.457
local terms energy: -52.422865
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -164.228521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.228521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.228521 (E_RNA)
where:
Base-Base interactions energy: -97.794
where: short stacking energy: -51.383
Base-Backbone interact. energy: -0.211
local terms energy: -66.223352
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -79.965457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.965457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.965457 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.127
local terms energy: -48.888097
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -0.033
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: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -74.293966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.293966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.293966 (E_RNA)
where:
Base-Base interactions energy: -19.770
where: short stacking energy: -19.770
Base-Backbone interact. energy: 0.003
local terms energy: -54.526516
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -75.496646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.496646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.496646 (E_RNA)
where:
Base-Base interactions energy: -28.583
where: short stacking energy: -23.712
Base-Backbone interact. energy: -0.768
local terms energy: -46.145479
where:
bonds (distance) C4'-P energy: -7.551
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -2.191
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: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -215.676448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.676448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.676448 (E_RNA)
where:
Base-Base interactions energy: -139.106
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.812
local terms energy: -75.759117
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -189.354042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.354042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.354042 (E_RNA)
where:
Base-Base interactions energy: -122.603
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.072
local terms energy: -66.678773
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -201.237454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.237454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.237454 (E_RNA)
where:
Base-Base interactions energy: -131.062
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.039
local terms energy: -70.136744
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -15.013
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: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -174.584398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.584398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.584398 (E_RNA)
where:
Base-Base interactions energy: -108.029
where: short stacking energy: -52.574
Base-Backbone interact. energy: -0.005
local terms energy: -66.550948
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -94.683972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.683972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.683972 (E_RNA)
where:
Base-Base interactions energy: -42.531
where: short stacking energy: -41.095
Base-Backbone interact. energy: -0.073
local terms energy: -52.079865
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -8.556
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: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -162.729767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.729767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.729767 (E_RNA)
where:
Base-Base interactions energy: -102.656
where: short stacking energy: -51.897
Base-Backbone interact. energy: 0.230
local terms energy: -60.303099
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -140.315425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.315425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.315425 (E_RNA)
where:
Base-Base interactions energy: -80.356
where: short stacking energy: -43.141
Base-Backbone interact. energy: -0.187
local terms energy: -59.772787
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -85.190098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190098 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.114
local terms energy: -55.225529
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -79.011522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.011522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.011522 (E_RNA)
where:
Base-Base interactions energy: -28.043
where: short stacking energy: -28.043
Base-Backbone interact. energy: -0.092
local terms energy: -50.876249
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: 0.177
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: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -88.090214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.090214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.090214 (E_RNA)
where:
Base-Base interactions energy: -36.067
where: short stacking energy: -36.067
Base-Backbone interact. energy: 0.848
local terms energy: -52.870789
where:
bonds (distance) C4'-P energy: -4.051
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -8.822
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: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -211.795155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.795155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.795155 (E_RNA)
where:
Base-Base interactions energy: -136.122
where: short stacking energy: -70.217
Base-Backbone interact. energy: -0.665
local terms energy: -75.007973
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -23.297
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: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -201.216565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.216565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.216565 (E_RNA)
where:
Base-Base interactions energy: -129.380
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.445
local terms energy: -71.392327
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -190.748514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.748514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.748514 (E_RNA)
where:
Base-Base interactions energy: -125.811
where: short stacking energy: -58.397
Base-Backbone interact. energy: -0.203
local terms energy: -64.735201
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -172.953499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.953499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.953499 (E_RNA)
where:
Base-Base interactions energy: -102.637
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.010
local terms energy: -70.306067
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -100.125031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.125031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.125031 (E_RNA)
where:
Base-Base interactions energy: -38.328
where: short stacking energy: -38.328
Base-Backbone interact. energy: 1.309
local terms energy: -63.105879
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -3.342
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: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -139.790598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.790598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.790598 (E_RNA)
where:
Base-Base interactions energy: -80.431
where: short stacking energy: -42.904
Base-Backbone interact. energy: -0.252
local terms energy: -59.108051
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -157.419685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.419685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.419685 (E_RNA)
where:
Base-Base interactions energy: -94.885
where: short stacking energy: -52.432
Base-Backbone interact. energy: -0.044
local terms energy: -62.490733
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -87.028375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.028375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.028375 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -28.224
Base-Backbone interact. energy: -0.646
local terms energy: -58.503686
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -83.182411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.182411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.182411 (E_RNA)
where:
Base-Base interactions energy: -30.278
where: short stacking energy: -26.504
Base-Backbone interact. energy: 0.220
local terms energy: -53.124575
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -2.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -72.698328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.698328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.698328 (E_RNA)
where:
Base-Base interactions energy: -32.155
where: short stacking energy: -30.579
Base-Backbone interact. energy: -0.653
local terms energy: -39.890801
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -4.070
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -6.854
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: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -210.257374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.257374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.257374 (E_RNA)
where:
Base-Base interactions energy: -135.716
where: short stacking energy: -60.629
Base-Backbone interact. energy: -0.410
local terms energy: -74.130756
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -207.759455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.759455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.759455 (E_RNA)
where:
Base-Base interactions energy: -135.812
where: short stacking energy: -71.269
Base-Backbone interact. energy: 0.410
local terms energy: -72.357065
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -19.163
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: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -193.737474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.737474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.737474 (E_RNA)
where:
Base-Base interactions energy: -129.353
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.059
local terms energy: -64.325547
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -12.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -180.528978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.528978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.528978 (E_RNA)
where:
Base-Base interactions energy: -106.596
where: short stacking energy: -58.273
Base-Backbone interact. energy: -0.618
local terms energy: -73.315347
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -162.325657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.325657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.325657 (E_RNA)
where:
Base-Base interactions energy: -101.001
where: short stacking energy: -44.161
Base-Backbone interact. energy: -0.619
local terms energy: -60.705795
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -6.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -99.004621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.004621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.004621 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -37.552
Base-Backbone interact. energy: -0.262
local terms energy: -57.867379
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -6.252
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: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -143.669922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.669922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.669922 (E_RNA)
where:
Base-Base interactions energy: -84.680
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.370
local terms energy: -58.620232
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -80.056118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.056118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.056118 (E_RNA)
where:
Base-Base interactions energy: -30.710
where: short stacking energy: -27.314
Base-Backbone interact. energy: -0.184
local terms energy: -49.161973
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -75.948466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.948466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.948466 (E_RNA)
where:
Base-Base interactions energy: -28.538
where: short stacking energy: -27.234
Base-Backbone interact. energy: -0.857
local terms energy: -46.552705
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: 1.328
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: 70
Temperature: 1.350000
Total energy: -71.309212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.309212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.309212 (E_RNA)
where:
Base-Base interactions energy: -19.911
where: short stacking energy: -19.911
Base-Backbone interact. energy: -1.630
local terms energy: -49.768535
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -0.340
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: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -217.112621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.112621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.112621 (E_RNA)
where:
Base-Base interactions energy: -141.470
where: short stacking energy: -65.920
Base-Backbone interact. energy: -0.448
local terms energy: -75.194665
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -203.776816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.776816 (E_RNA)
where:
Base-Base interactions energy: -135.553
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.259
local terms energy: -67.964862
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -14.402
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: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -198.034850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.034850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.034850 (E_RNA)
where:
Base-Base interactions energy: -128.163
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.364
local terms energy: -69.507634
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -16.709
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: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -194.507559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.507559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.507559 (E_RNA)
where:
Base-Base interactions energy: -125.293
where: short stacking energy: -69.659
Base-Backbone interact. energy: -0.039
local terms energy: -69.175613
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -171.519622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.519622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.519622 (E_RNA)
where:
Base-Base interactions energy: -106.187
where: short stacking energy: -53.308
Base-Backbone interact. energy: -0.030
local terms energy: -65.302475
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -9.525
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -147.529447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.529447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.529447 (E_RNA)
where:
Base-Base interactions energy: -89.864
where: short stacking energy: -43.134
Base-Backbone interact. energy: 0.137
local terms energy: -57.802447
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -8.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -88.636032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.636032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.636032 (E_RNA)
where:
Base-Base interactions energy: -32.885
where: short stacking energy: -23.874
Base-Backbone interact. energy: 0.035
local terms energy: -55.786385
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -4.481
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: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -101.523357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.523357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.523357 (E_RNA)
where:
Base-Base interactions energy: -40.165
where: short stacking energy: -40.165
Base-Backbone interact. energy: -0.010
local terms energy: -61.348199
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -84.950925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.950925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.950925 (E_RNA)
where:
Base-Base interactions energy: -34.880
where: short stacking energy: -34.880
Base-Backbone interact. energy: -0.240
local terms energy: -49.831751
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -74.773387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.773387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.773387 (E_RNA)
where:
Base-Base interactions energy: -30.983
where: short stacking energy: -16.146
Base-Backbone interact. energy: -0.246
local terms energy: -43.544656
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: 1.963
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: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -210.041286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.041286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.041286 (E_RNA)
where:
Base-Base interactions energy: -134.765
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.741
local terms energy: -74.534731
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -17.739
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: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -207.523437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.523437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.523437 (E_RNA)
where:
Base-Base interactions energy: -136.116
where: short stacking energy: -69.657
Base-Backbone interact. energy: -0.101
local terms energy: -71.306291
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -16.974
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: 72
Temperature: 1.000000
Total energy: -197.235456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.235456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.235456 (E_RNA)
where:
Base-Base interactions energy: -126.117
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.034
local terms energy: -71.084618
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -15.533
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: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -173.666972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.666972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.666972 (E_RNA)
where:
Base-Base interactions energy: -107.994
where: short stacking energy: -53.768
Base-Backbone interact. energy: -0.093
local terms energy: -65.580246
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -182.497617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.497617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.497617 (E_RNA)
where:
Base-Base interactions energy: -108.978
where: short stacking energy: -58.273
Base-Backbone interact. energy: -0.299
local terms energy: -73.219945
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -157.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.100411 (E_RNA)
where:
Base-Base interactions energy: -97.079
where: short stacking energy: -48.187
Base-Backbone interact. energy: -0.041
local terms energy: -59.980371
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -95.396566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.396566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.396566 (E_RNA)
where:
Base-Base interactions energy: -38.070
where: short stacking energy: -36.721
Base-Backbone interact. energy: -0.007
local terms energy: -57.319340
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -4.284
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -84.956470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.956470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.956470 (E_RNA)
where:
Base-Base interactions energy: -42.166
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.328
local terms energy: -42.462436
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -94.460697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.460697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.460697 (E_RNA)
where:
Base-Base interactions energy: -43.885
where: short stacking energy: -32.249
Base-Backbone interact. energy: -0.580
local terms energy: -49.995502
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -7.823
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -80.589117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.589117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.589117 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -24.055
Base-Backbone interact. energy: 1.331
local terms energy: -51.176093
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -8.989
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: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -208.518813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.518813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.518813 (E_RNA)
where:
Base-Base interactions energy: -136.044
where: short stacking energy: -66.357
Base-Backbone interact. energy: -0.004
local terms energy: -72.470413
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -7.991
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: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -208.186611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.186611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.186611 (E_RNA)
where:
Base-Base interactions energy: -135.140
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.475
local terms energy: -72.571213
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.896
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: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -193.402578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.402578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.402578 (E_RNA)
where:
Base-Base interactions energy: -122.534
where: short stacking energy: -55.192
Base-Backbone interact. energy: -0.455
local terms energy: -70.413570
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -176.150948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.150948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.150948 (E_RNA)
where:
Base-Base interactions energy: -111.589
where: short stacking energy: -65.779
Base-Backbone interact. energy: -0.197
local terms energy: -64.364802
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -161.404467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.404467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.404467 (E_RNA)
where:
Base-Base interactions energy: -100.549
where: short stacking energy: -44.453
Base-Backbone interact. energy: -0.395
local terms energy: -60.460649
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -165.340853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.340853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.340853 (E_RNA)
where:
Base-Base interactions energy: -100.400
where: short stacking energy: -47.117
Base-Backbone interact. energy: -0.464
local terms energy: -64.476553
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -98.961391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.961391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.961391 (E_RNA)
where:
Base-Base interactions energy: -38.387
where: short stacking energy: -38.085
Base-Backbone interact. energy: -0.126
local terms energy: -60.448928
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -8.175
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: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -95.235005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.235005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.235005 (E_RNA)
where:
Base-Base interactions energy: -39.711
where: short stacking energy: -39.454
Base-Backbone interact. energy: -0.080
local terms energy: -55.444980
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -79.503008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.503008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.503008 (E_RNA)
where:
Base-Base interactions energy: -28.387
where: short stacking energy: -27.329
Base-Backbone interact. energy: -0.441
local terms energy: -50.675067
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -83.409308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.409308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.409308 (E_RNA)
where:
Base-Base interactions energy: -26.190
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.181
local terms energy: -57.037898
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -202.871404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.871404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.871404 (E_RNA)
where:
Base-Base interactions energy: -134.374
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.137
local terms energy: -68.359904
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -16.774
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: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -210.239731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.239731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.239731 (E_RNA)
where:
Base-Base interactions energy: -132.716
where: short stacking energy: -64.179
Base-Backbone interact. energy: -0.256
local terms energy: -77.267509
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -15.624
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: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -190.762644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.762644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.762644 (E_RNA)
where:
Base-Base interactions energy: -122.560
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.011
local terms energy: -68.191664
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -9.379
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: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -163.849336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.849336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.849336 (E_RNA)
where:
Base-Base interactions energy: -98.925
where: short stacking energy: -49.102
Base-Backbone interact. energy: -0.147
local terms energy: -64.778142
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -9.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -182.764116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.764116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.764116 (E_RNA)
where:
Base-Base interactions energy: -113.376
where: short stacking energy: -57.313
Base-Backbone interact. energy: -0.104
local terms energy: -69.283958
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -170.426096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.426096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.426096 (E_RNA)
where:
Base-Base interactions energy: -99.786
where: short stacking energy: -57.276
Base-Backbone interact. energy: -0.093
local terms energy: -70.546867
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -14.888
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: 74
Temperature: 1.200000
Total energy: -92.898509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.898509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.898509 (E_RNA)
where:
Base-Base interactions energy: -39.216
where: short stacking energy: -36.309
Base-Backbone interact. energy: -0.121
local terms energy: -53.562109
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -86.471778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.471778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.471778 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -33.142
Base-Backbone interact. energy: -0.292
local terms energy: -48.756121
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -77.647721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.647721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.647721 (E_RNA)
where:
Base-Base interactions energy: -27.908
where: short stacking energy: -27.007
Base-Backbone interact. energy: -0.137
local terms energy: -49.602117
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -76.168804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.168804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.168804 (E_RNA)
where:
Base-Base interactions energy: -25.309
where: short stacking energy: -18.506
Base-Backbone interact. energy: -0.268
local terms energy: -50.592539
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -204.836861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.836861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.836861 (E_RNA)
where:
Base-Base interactions energy: -141.573
where: short stacking energy: -68.012
Base-Backbone interact. energy: -0.199
local terms energy: -63.064978
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -203.762291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.762291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.762291 (E_RNA)
where:
Base-Base interactions energy: -131.561
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.022
local terms energy: -72.179424
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -20.123
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: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -199.582568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.582568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.582568 (E_RNA)
where:
Base-Base interactions energy: -128.965
where: short stacking energy: -58.094
Base-Backbone interact. energy: 0.091
local terms energy: -70.707867
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -15.320
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: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -171.577098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.577098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.577098 (E_RNA)
where:
Base-Base interactions energy: -110.414
where: short stacking energy: -58.215
Base-Backbone interact. energy: -0.524
local terms energy: -60.638344
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -12.048
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: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -149.612804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.612804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.612804 (E_RNA)
where:
Base-Base interactions energy: -91.003
where: short stacking energy: -33.673
Base-Backbone interact. energy: -1.322
local terms energy: -57.287282
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -164.986329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.986329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.986329 (E_RNA)
where:
Base-Base interactions energy: -98.630
where: short stacking energy: -51.505
Base-Backbone interact. energy: -0.135
local terms energy: -66.221111
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -15.592
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: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -98.685064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.685064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.685064 (E_RNA)
where:
Base-Base interactions energy: -44.750
where: short stacking energy: -26.896
Base-Backbone interact. energy: -0.216
local terms energy: -53.718986
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -97.925911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.925911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.925911 (E_RNA)
where:
Base-Base interactions energy: -41.840
where: short stacking energy: -38.298
Base-Backbone interact. energy: -0.118
local terms energy: -55.967912
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -4.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -91.726855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.726855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.726855 (E_RNA)
where:
Base-Base interactions energy: -41.397
where: short stacking energy: -28.293
Base-Backbone interact. energy: 2.615
local terms energy: -52.944514
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -79.678254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.678254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.678254 (E_RNA)
where:
Base-Base interactions energy: -33.887
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.119
local terms energy: -45.672988
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -216.738450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.738450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.738450 (E_RNA)
where:
Base-Base interactions energy: -140.276
where: short stacking energy: -74.141
Base-Backbone interact. energy: -0.020
local terms energy: -76.442945
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -205.239857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.239857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.239857 (E_RNA)
where:
Base-Base interactions energy: -128.734
where: short stacking energy: -62.897
Base-Backbone interact. energy: -0.837
local terms energy: -75.668874
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -17.863
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: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -187.435073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.435073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.435073 (E_RNA)
where:
Base-Base interactions energy: -110.365
where: short stacking energy: -59.923
Base-Backbone interact. energy: -0.415
local terms energy: -76.655086
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -184.831777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.831777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.831777 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -52.870
Base-Backbone interact. energy: -0.027
local terms energy: -60.320797
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -171.864361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.864361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.864361 (E_RNA)
where:
Base-Base interactions energy: -105.862
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.354
local terms energy: -65.648816
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -171.648723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.648723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.648723 (E_RNA)
where:
Base-Base interactions energy: -104.156
where: short stacking energy: -54.983
Base-Backbone interact. energy: -0.662
local terms energy: -66.830430
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -14.309
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: 76
Temperature: 1.200000
Total energy: -84.754564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.754564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.754564 (E_RNA)
where:
Base-Base interactions energy: -28.121
where: short stacking energy: -28.121
Base-Backbone interact. energy: -0.208
local terms energy: -56.425938
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -83.971509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.971509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.971509 (E_RNA)
where:
Base-Base interactions energy: -38.839
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.421
local terms energy: -44.711618
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -1.393
tors. eta vs tors. theta energy: -4.630
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: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -81.364996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.364996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.364996 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.215
local terms energy: -45.220129
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -94.440810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.440810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.440810 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -39.034
Base-Backbone interact. energy: -0.111
local terms energy: -55.295966
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -9.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -214.727572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.727572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.727572 (E_RNA)
where:
Base-Base interactions energy: -140.870
where: short stacking energy: -75.426
Base-Backbone interact. energy: -0.079
local terms energy: -73.779330
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -19.333
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: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -203.472745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.472745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.472745 (E_RNA)
where:
Base-Base interactions energy: -131.219
where: short stacking energy: -65.549
Base-Backbone interact. energy: -0.438
local terms energy: -71.815305
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -192.691219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.691219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.691219 (E_RNA)
where:
Base-Base interactions energy: -120.628
where: short stacking energy: -67.036
Base-Backbone interact. energy: -0.410
local terms energy: -71.652629
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -173.297335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.297335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.297335 (E_RNA)
where:
Base-Base interactions energy: -114.837
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.032
local terms energy: -58.427533
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -8.680
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: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -168.328408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.328408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.328408 (E_RNA)
where:
Base-Base interactions energy: -105.610
where: short stacking energy: -50.764
Base-Backbone interact. energy: -0.252
local terms energy: -62.466418
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -11.256
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: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -164.292575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.292575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.292575 (E_RNA)
where:
Base-Base interactions energy: -97.160
where: short stacking energy: -58.963
Base-Backbone interact. energy: -0.112
local terms energy: -67.020799
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -88.512481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.512481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.512481 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -30.958
Base-Backbone interact. energy: -1.086
local terms energy: -54.087955
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -87.040568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.040568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.040568 (E_RNA)
where:
Base-Base interactions energy: -40.877
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.472
local terms energy: -45.691959
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -74.345055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.345055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.345055 (E_RNA)
where:
Base-Base interactions energy: -30.577
where: short stacking energy: -29.647
Base-Backbone interact. energy: -0.226
local terms energy: -43.541416
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -0.823
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: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -88.900500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.900500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.900500 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -35.873
Base-Backbone interact. energy: 0.644
local terms energy: -49.736714
where:
bonds (distance) C4'-P energy: -7.674
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -8.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -208.768958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.768958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.768958 (E_RNA)
where:
Base-Base interactions energy: -131.171
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.244
local terms energy: -77.353107
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -18.069
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: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -190.970867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.970867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.970867 (E_RNA)
where:
Base-Base interactions energy: -127.788
where: short stacking energy: -65.126
Base-Backbone interact. energy: -0.077
local terms energy: -63.105678
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -183.399700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.399700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.399700 (E_RNA)
where:
Base-Base interactions energy: -114.204
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.246
local terms energy: -68.950581
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -11.146
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: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -172.295529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.295529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.295529 (E_RNA)
where:
Base-Base interactions energy: -122.859
where: short stacking energy: -56.127
Base-Backbone interact. energy: 0.922
local terms energy: -50.358940
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -7.959
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -11.261
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: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -162.755929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.755929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.755929 (E_RNA)
where:
Base-Base interactions energy: -94.521
where: short stacking energy: -50.053
Base-Backbone interact. energy: -0.068
local terms energy: -68.167291
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -10.488
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: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -159.491784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.491784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.491784 (E_RNA)
where:
Base-Base interactions energy: -96.605
where: short stacking energy: -46.299
Base-Backbone interact. energy: -0.300
local terms energy: -62.587287
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -96.184475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.184475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.184475 (E_RNA)
where:
Base-Base interactions energy: -44.129
where: short stacking energy: -41.116
Base-Backbone interact. energy: -0.128
local terms energy: -51.927167
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -78.431964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.431964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.431964 (E_RNA)
where:
Base-Base interactions energy: -22.318
where: short stacking energy: -20.609
Base-Backbone interact. energy: -1.563
local terms energy: -54.550848
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -77.006103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.006103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.006103 (E_RNA)
where:
Base-Base interactions energy: -21.530
where: short stacking energy: -21.530
Base-Backbone interact. energy: -0.080
local terms energy: -55.396295
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -80.500424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.500424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.500424 (E_RNA)
where:
Base-Base interactions energy: -28.200
where: short stacking energy: -27.861
Base-Backbone interact. energy: -0.452
local terms energy: -51.848896
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -4.201
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: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -209.249872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.249872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.249872 (E_RNA)
where:
Base-Base interactions energy: -134.714
where: short stacking energy: -63.965
Base-Backbone interact. energy: -0.857
local terms energy: -73.679660
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -202.242530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.242530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.242530 (E_RNA)
where:
Base-Base interactions energy: -132.010
where: short stacking energy: -59.727
Base-Backbone interact. energy: -0.101
local terms energy: -70.131743
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -10.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -193.557218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.557218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.557218 (E_RNA)
where:
Base-Base interactions energy: -118.769
where: short stacking energy: -63.753
Base-Backbone interact. energy: -0.009
local terms energy: -74.779310
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -167.110974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.110974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.110974 (E_RNA)
where:
Base-Base interactions energy: -104.125
where: short stacking energy: -47.983
Base-Backbone interact. energy: 0.012
local terms energy: -62.997312
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.959
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: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -167.552425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.552425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.552425 (E_RNA)
where:
Base-Base interactions energy: -103.971
where: short stacking energy: -44.307
Base-Backbone interact. energy: -0.325
local terms energy: -63.257388
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -155.341057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.341057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.341057 (E_RNA)
where:
Base-Base interactions energy: -96.879
where: short stacking energy: -40.822
Base-Backbone interact. energy: -0.390
local terms energy: -58.071822
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -89.552324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.552324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.552324 (E_RNA)
where:
Base-Base interactions energy: -37.988
where: short stacking energy: -34.680
Base-Backbone interact. energy: -0.313
local terms energy: -51.250944
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -8.591
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: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -93.338394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.338394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.338394 (E_RNA)
where:
Base-Base interactions energy: -34.249
where: short stacking energy: -34.249
Base-Backbone interact. energy: -0.041
local terms energy: -59.048902
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -7.870
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: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -84.247003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.247003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.247003 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.223
local terms energy: -52.182053
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -73.548011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.548011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.548011 (E_RNA)
where:
Base-Base interactions energy: -24.411
where: short stacking energy: -23.892
Base-Backbone interact. energy: 2.217
local terms energy: -51.354102
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -206.224507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.224507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.224507 (E_RNA)
where:
Base-Base interactions energy: -131.995
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.074
local terms energy: -74.155545
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -194.104994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.104994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.104994 (E_RNA)
where:
Base-Base interactions energy: -135.481
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.270
local terms energy: -58.354394
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -176.819958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.819958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.819958 (E_RNA)
where:
Base-Base interactions energy: -113.162
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.096
local terms energy: -63.562310
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -182.087970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.087970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.087970 (E_RNA)
where:
Base-Base interactions energy: -110.141
where: short stacking energy: -64.561
Base-Backbone interact. energy: -1.559
local terms energy: -70.387760
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -17.896
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: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -182.918785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.918785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.918785 (E_RNA)
where:
Base-Base interactions energy: -112.703
where: short stacking energy: -67.878
Base-Backbone interact. energy: -0.094
local terms energy: -70.121191
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -6.667
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: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -184.908961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.908961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.908961 (E_RNA)
where:
Base-Base interactions energy: -126.267
where: short stacking energy: -50.548
Base-Backbone interact. energy: -0.505
local terms energy: -58.137739
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -5.277
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -15.540
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: 80
Temperature: 1.200000
Total energy: -99.201507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.201507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.201507 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.013
local terms energy: -56.811998
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -81.541463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.541463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.541463 (E_RNA)
where:
Base-Base interactions energy: -32.534
where: short stacking energy: -25.789
Base-Backbone interact. energy: 1.507
local terms energy: -50.514649
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -0.745
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: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -78.891245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.891245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.891245 (E_RNA)
where:
Base-Base interactions energy: -28.479
where: short stacking energy: -24.176
Base-Backbone interact. energy: 0.798
local terms energy: -51.210694
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -78.152695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.152695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.152695 (E_RNA)
where:
Base-Base interactions energy: -21.461
where: short stacking energy: -21.461
Base-Backbone interact. energy: -0.203
local terms energy: -56.489178
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -205.993868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.993868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.993868 (E_RNA)
where:
Base-Base interactions energy: -131.388
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.658
local terms energy: -73.947633
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -175.123734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.123734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.123734 (E_RNA)
where:
Base-Base interactions energy: -108.617
where: short stacking energy: -51.518
Base-Backbone interact. energy: -0.408
local terms energy: -66.098502
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -12.236
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: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -206.482036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.482036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.482036 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -69.730
Base-Backbone interact. energy: -0.007
local terms energy: -70.820217
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -17.062
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: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -184.543451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.543451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.543451 (E_RNA)
where:
Base-Base interactions energy: -115.602
where: short stacking energy: -64.491
Base-Backbone interact. energy: -0.012
local terms energy: -68.929643
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -170.462388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.462388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.462388 (E_RNA)
where:
Base-Base interactions energy: -115.965
where: short stacking energy: -57.297
Base-Backbone interact. energy: -0.073
local terms energy: -54.424361
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -1.718
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -182.865080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.865080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.865080 (E_RNA)
where:
Base-Base interactions energy: -111.912
where: short stacking energy: -52.824
Base-Backbone interact. energy: -0.043
local terms energy: -70.909892
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -13.466
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: 81
Temperature: 1.200000
Total energy: -93.548083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.548083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.548083 (E_RNA)
where:
Base-Base interactions energy: -33.626
where: short stacking energy: -33.626
Base-Backbone interact. energy: -0.045
local terms energy: -59.877046
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -8.177
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: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -78.378336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.378336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.378336 (E_RNA)
where:
Base-Base interactions energy: -26.102
where: short stacking energy: -23.038
Base-Backbone interact. energy: -0.397
local terms energy: -51.879256
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -90.907583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.907583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.907583 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -33.070
Base-Backbone interact. energy: 1.040
local terms energy: -55.285988
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -75.819752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.819752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.819752 (E_RNA)
where:
Base-Base interactions energy: -24.947
where: short stacking energy: -23.516
Base-Backbone interact. energy: -0.004
local terms energy: -50.868262
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -207.460275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.460275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.460275 (E_RNA)
where:
Base-Base interactions energy: -132.282
where: short stacking energy: -56.622
Base-Backbone interact. energy: -2.238
local terms energy: -72.940453
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -178.855477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.855477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.855477 (E_RNA)
where:
Base-Base interactions energy: -110.090
where: short stacking energy: -59.460
Base-Backbone interact. energy: -0.254
local terms energy: -68.511698
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -211.069462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.069462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.069462 (E_RNA)
where:
Base-Base interactions energy: -133.390
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.192
local terms energy: -77.486586
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -185.392102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.392102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.392102 (E_RNA)
where:
Base-Base interactions energy: -115.825
where: short stacking energy: -63.893
Base-Backbone interact. energy: -0.001
local terms energy: -69.566377
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -188.439394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.439394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.439394 (E_RNA)
where:
Base-Base interactions energy: -125.473
where: short stacking energy: -56.944
Base-Backbone interact. energy: -0.061
local terms energy: -62.905473
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -14.799
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: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -143.255338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.255338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.255338 (E_RNA)
where:
Base-Base interactions energy: -84.388
where: short stacking energy: -48.989
Base-Backbone interact. energy: -0.100
local terms energy: -58.767852
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -89.818652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.818652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.818652 (E_RNA)
where:
Base-Base interactions energy: -40.270
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.091
local terms energy: -49.457100
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -83.632770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.632770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.632770 (E_RNA)
where:
Base-Base interactions energy: -27.772
where: short stacking energy: -23.236
Base-Backbone interact. energy: -0.071
local terms energy: -55.789841
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -2.340
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: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -88.203784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.203784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.203784 (E_RNA)
where:
Base-Base interactions energy: -37.800
where: short stacking energy: -37.615
Base-Backbone interact. energy: -0.448
local terms energy: -49.956088
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -74.987727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.987727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.987727 (E_RNA)
where:
Base-Base interactions energy: -26.773
where: short stacking energy: -26.773
Base-Backbone interact. energy: -0.257
local terms energy: -47.957452
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -9.580
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: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -210.288610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.288610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.288610 (E_RNA)
where:
Base-Base interactions energy: -141.010
where: short stacking energy: -62.790
Base-Backbone interact. energy: -0.361
local terms energy: -68.917953
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -13.689
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: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -210.324794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.324794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.324794 (E_RNA)
where:
Base-Base interactions energy: -136.515
where: short stacking energy: -73.625
Base-Backbone interact. energy: -0.319
local terms energy: -73.491146
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -185.162134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.162134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.162134 (E_RNA)
where:
Base-Base interactions energy: -118.437
where: short stacking energy: -63.590
Base-Backbone interact. energy: -1.587
local terms energy: -65.137758
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -14.161
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: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -182.287736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.287736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.287736 (E_RNA)
where:
Base-Base interactions energy: -108.753
where: short stacking energy: -55.041
Base-Backbone interact. energy: -0.304
local terms energy: -73.230549
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -18.505
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: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -191.267049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.267049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.267049 (E_RNA)
where:
Base-Base interactions energy: -123.612
where: short stacking energy: -58.897
Base-Backbone interact. energy: -0.052
local terms energy: -67.603314
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -95.065007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.065007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.065007 (E_RNA)
where:
Base-Base interactions energy: -40.408
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.015
local terms energy: -54.642349
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -110.876601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.876601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.876601 (E_RNA)
where:
Base-Base interactions energy: -51.132
where: short stacking energy: -45.962
Base-Backbone interact. energy: -0.022
local terms energy: -59.723394
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -91.139094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.139094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.139094 (E_RNA)
where:
Base-Base interactions energy: -42.174
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.238
local terms energy: -48.727075
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -83.552770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.552770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.552770 (E_RNA)
where:
Base-Base interactions energy: -33.562
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.333
local terms energy: -49.657456
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -79.241223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.241223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.241223 (E_RNA)
where:
Base-Base interactions energy: -28.570
where: short stacking energy: -28.570
Base-Backbone interact. energy: -0.047
local terms energy: -50.623487
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -2.153
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -207.795621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.795621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.795621 (E_RNA)
where:
Base-Base interactions energy: -126.295
where: short stacking energy: -65.503
Base-Backbone interact. energy: -0.086
local terms energy: -81.414403
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -11.517
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: 2, replica: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -196.687456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.687456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.687456 (E_RNA)
where:
Base-Base interactions energy: -132.709
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.110
local terms energy: -63.868319
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -170.800336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.800336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.800336 (E_RNA)
where:
Base-Base interactions energy: -103.785
where: short stacking energy: -54.731
Base-Backbone interact. energy: -0.140
local terms energy: -66.875079
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -171.149166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.149166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.149166 (E_RNA)
where:
Base-Base interactions energy: -104.845
where: short stacking energy: -50.571
Base-Backbone interact. energy: -0.064
local terms energy: -66.240291
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -12.259
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: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -196.105025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.105025 (E_RNA)
where:
Base-Base interactions energy: -130.381
where: short stacking energy: -59.311
Base-Backbone interact. energy: 0.250
local terms energy: -65.974524
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -14.764
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: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -94.413569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.413569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.413569 (E_RNA)
where:
Base-Base interactions energy: -38.943
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.064
local terms energy: -55.406932
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -6.153
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: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -112.652528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.652528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.652528 (E_RNA)
where:
Base-Base interactions energy: -53.944
where: short stacking energy: -48.862
Base-Backbone interact. energy: 0.383
local terms energy: -59.091199
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -8.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -98.512596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.512596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.512596 (E_RNA)
where:
Base-Base interactions energy: -38.057
where: short stacking energy: -37.003
Base-Backbone interact. energy: 0.488
local terms energy: -60.943697
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -90.598959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.598959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.598959 (E_RNA)
where:
Base-Base interactions energy: -38.288
where: short stacking energy: -30.293
Base-Backbone interact. energy: -0.493
local terms energy: -51.818021
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -70.511892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.511892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.511892 (E_RNA)
where:
Base-Base interactions energy: -22.805
where: short stacking energy: -21.057
Base-Backbone interact. energy: -0.153
local terms energy: -47.554325
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -1.482
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: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -216.325273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.325273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.325273 (E_RNA)
where:
Base-Base interactions energy: -137.669
where: short stacking energy: -70.780
Base-Backbone interact. energy: 0.072
local terms energy: -78.728203
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -19.717
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: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -180.912213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.912213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.912213 (E_RNA)
where:
Base-Base interactions energy: -108.213
where: short stacking energy: -52.981
Base-Backbone interact. energy: -1.207
local terms energy: -71.492263
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -196.298751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.298751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.298751 (E_RNA)
where:
Base-Base interactions energy: -126.470
where: short stacking energy: -65.025
Base-Backbone interact. energy: -0.512
local terms energy: -69.316500
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -192.159161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.159161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.159161 (E_RNA)
where:
Base-Base interactions energy: -121.326
where: short stacking energy: -53.346
Base-Backbone interact. energy: -0.053
local terms energy: -70.779809
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -167.351742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.351742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.351742 (E_RNA)
where:
Base-Base interactions energy: -110.014
where: short stacking energy: -48.835
Base-Backbone interact. energy: -0.037
local terms energy: -57.300797
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -105.041287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.041287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.041287 (E_RNA)
where:
Base-Base interactions energy: -43.916
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.000
local terms energy: -61.125165
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -9.194
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: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -99.471622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.471622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.471622 (E_RNA)
where:
Base-Base interactions energy: -47.668
where: short stacking energy: -45.149
Base-Backbone interact. energy: -0.164
local terms energy: -51.639706
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -109.323441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.323441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.323441 (E_RNA)
where:
Base-Base interactions energy: -50.752
where: short stacking energy: -36.328
Base-Backbone interact. energy: -0.183
local terms energy: -58.388751
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -84.009418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.009418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.009418 (E_RNA)
where:
Base-Base interactions energy: -31.107
where: short stacking energy: -29.374
Base-Backbone interact. energy: -0.311
local terms energy: -52.592211
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -72.444014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.444014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.444014 (E_RNA)
where:
Base-Base interactions energy: -20.425
where: short stacking energy: -20.425
Base-Backbone interact. energy: -0.068
local terms energy: -51.950831
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: 3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -213.542201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.542201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.542201 (E_RNA)
where:
Base-Base interactions energy: -138.275
where: short stacking energy: -52.430
Base-Backbone interact. energy: 0.724
local terms energy: -75.991617
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -187.873359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.873359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.873359 (E_RNA)
where:
Base-Base interactions energy: -117.476
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.272
local terms energy: -70.125354
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -13.165
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: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -201.711564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.711564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.711564 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -59.797
Base-Backbone interact. energy: -0.492
local terms energy: -69.004438
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -183.061978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.061978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.061978 (E_RNA)
where:
Base-Base interactions energy: -112.594
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.038
local terms energy: -70.429908
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -168.885655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.885655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.885655 (E_RNA)
where:
Base-Base interactions energy: -102.608
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.115
local terms energy: -66.162552
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -16.344
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: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -100.654592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.654592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.654592 (E_RNA)
where:
Base-Base interactions energy: -40.178
where: short stacking energy: -38.297
Base-Backbone interact. energy: -0.110
local terms energy: -60.367389
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -9.643
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: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -89.686950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.686950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.686950 (E_RNA)
where:
Base-Base interactions energy: -49.647
where: short stacking energy: -49.647
Base-Backbone interact. energy: -0.145
local terms energy: -39.895470
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -8.280
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -6.590
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: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -98.047346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.047346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.047346 (E_RNA)
where:
Base-Base interactions energy: -46.407
where: short stacking energy: -34.543
Base-Backbone interact. energy: -0.384
local terms energy: -51.256155
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -7.080
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -3.570
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: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -80.506802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506802 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -28.922
Base-Backbone interact. energy: -0.137
local terms energy: -47.751834
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -79.884105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.884105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.884105 (E_RNA)
where:
Base-Base interactions energy: -32.215
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.077
local terms energy: -47.591919
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -218.361429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.361429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.361429 (E_RNA)
where:
Base-Base interactions energy: -136.617
where: short stacking energy: -76.535
Base-Backbone interact. energy: -0.242
local terms energy: -81.502189
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -206.190522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.190522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.190522 (E_RNA)
where:
Base-Base interactions energy: -133.735
where: short stacking energy: -67.100
Base-Backbone interact. energy: -0.139
local terms energy: -72.316645
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -175.749140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.749140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.749140 (E_RNA)
where:
Base-Base interactions energy: -104.294
where: short stacking energy: -54.879
Base-Backbone interact. energy: -0.249
local terms energy: -71.206502
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -182.956628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.956628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.956628 (E_RNA)
where:
Base-Base interactions energy: -117.100
where: short stacking energy: -55.544
Base-Backbone interact. energy: 0.260
local terms energy: -66.115925
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -16.155
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: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -170.571121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.571121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.571121 (E_RNA)
where:
Base-Base interactions energy: -100.983
where: short stacking energy: -55.049
Base-Backbone interact. energy: -0.189
local terms energy: -69.398198
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -11.321
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: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -107.168945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.168945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.168945 (E_RNA)
where:
Base-Base interactions energy: -46.006
where: short stacking energy: -46.006
Base-Backbone interact. energy: -0.097
local terms energy: -61.066404
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -10.989
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -100.571622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.571622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.571622 (E_RNA)
where:
Base-Base interactions energy: -38.718
where: short stacking energy: -38.718
Base-Backbone interact. energy: -0.658
local terms energy: -61.195442
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -8.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -97.139223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.139223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.139223 (E_RNA)
where:
Base-Base interactions energy: -38.107
where: short stacking energy: -36.981
Base-Backbone interact. energy: -0.433
local terms energy: -58.599657
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -83.519863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.519863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.519863 (E_RNA)
where:
Base-Base interactions energy: -28.148
where: short stacking energy: -17.781
Base-Backbone interact. energy: -0.044
local terms energy: -55.327416
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -104.764599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.764599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.764599 (E_RNA)
where:
Base-Base interactions energy: -61.490
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.030
local terms energy: -43.244596
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -5.823
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -3.954
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: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -202.153063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.153063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.153063 (E_RNA)
where:
Base-Base interactions energy: -132.518
where: short stacking energy: -59.852
Base-Backbone interact. energy: -0.102
local terms energy: -69.532623
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -13.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -215.986682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.986682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.986682 (E_RNA)
where:
Base-Base interactions energy: -135.155
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.530
local terms energy: -80.301493
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -191.084077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.084077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.084077 (E_RNA)
where:
Base-Base interactions energy: -119.686
where: short stacking energy: -63.220
Base-Backbone interact. energy: 0.529
local terms energy: -71.927268
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -16.467
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: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -186.393957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.393957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.393957 (E_RNA)
where:
Base-Base interactions energy: -118.647
where: short stacking energy: -51.205
Base-Backbone interact. energy: -0.163
local terms energy: -67.584450
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -16.188
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: 88
Temperature: 1.100000
Total energy: -180.053565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.053565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.053565 (E_RNA)
where:
Base-Base interactions energy: -115.307
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.023
local terms energy: -64.723700
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -13.425
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: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -99.741333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.741333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.741333 (E_RNA)
where:
Base-Base interactions energy: -43.279
where: short stacking energy: -42.053
Base-Backbone interact. energy: 0.730
local terms energy: -57.192045
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -80.533814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.533814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.533814 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -27.268
Base-Backbone interact. energy: -0.313
local terms energy: -47.155141
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -7.828
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -85.919581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.919581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.919581 (E_RNA)
where:
Base-Base interactions energy: -40.506
where: short stacking energy: -39.832
Base-Backbone interact. energy: -0.202
local terms energy: -45.211381
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -83.462763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.462763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.462763 (E_RNA)
where:
Base-Base interactions energy: -34.096
where: short stacking energy: -23.524
Base-Backbone interact. energy: -0.183
local terms energy: -49.183862
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -78.660652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.660652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.660652 (E_RNA)
where:
Base-Base interactions energy: -32.972
where: short stacking energy: -19.936
Base-Backbone interact. energy: 0.964
local terms energy: -46.652309
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -0.026
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: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -205.819127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.819127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.819127 (E_RNA)
where:
Base-Base interactions energy: -135.147
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.330
local terms energy: -70.342459
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -14.409
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: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -190.922777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.922777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.922777 (E_RNA)
where:
Base-Base interactions energy: -117.739
where: short stacking energy: -66.293
Base-Backbone interact. energy: -0.100
local terms energy: -73.084354
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -212.102112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.102112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.102112 (E_RNA)
where:
Base-Base interactions energy: -135.360
where: short stacking energy: -68.646
Base-Backbone interact. energy: -0.003
local terms energy: -76.739755
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -181.609687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.609687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.609687 (E_RNA)
where:
Base-Base interactions energy: -116.113
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.011
local terms energy: -65.485399
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -15.513
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: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -168.367621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.367621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.367621 (E_RNA)
where:
Base-Base interactions energy: -99.091
where: short stacking energy: -53.941
Base-Backbone interact. energy: -0.356
local terms energy: -68.920823
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -96.385381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.385381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.385381 (E_RNA)
where:
Base-Base interactions energy: -44.703
where: short stacking energy: -26.461
Base-Backbone interact. energy: -1.063
local terms energy: -50.618925
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -2.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -101.869686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.869686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.869686 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -43.928
Base-Backbone interact. energy: -0.104
local terms energy: -57.838340
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -9.019
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: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -83.795512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.795512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.795512 (E_RNA)
where:
Base-Base interactions energy: -31.299
where: short stacking energy: -26.298
Base-Backbone interact. energy: -0.044
local terms energy: -52.452233
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -1.223
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: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -90.806039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.806039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.806039 (E_RNA)
where:
Base-Base interactions energy: -29.948
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.107
local terms energy: -60.750501
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -10.289
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: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -87.102932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.102932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.102932 (E_RNA)
where:
Base-Base interactions energy: -23.567
where: short stacking energy: -18.627
Base-Backbone interact. energy: -0.236
local terms energy: -63.299900
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -189.345385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.345385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.345385 (E_RNA)
where:
Base-Base interactions energy: -115.961
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.368
local terms energy: -73.016424
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -201.764929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.764929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.764929 (E_RNA)
where:
Base-Base interactions energy: -129.198
where: short stacking energy: -58.941
Base-Backbone interact. energy: -0.387
local terms energy: -72.180041
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -187.009574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.009574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.009574 (E_RNA)
where:
Base-Base interactions energy: -120.536
where: short stacking energy: -55.232
Base-Backbone interact. energy: -0.237
local terms energy: -66.236344
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -213.763665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.763665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.763665 (E_RNA)
where:
Base-Base interactions energy: -143.621
where: short stacking energy: -73.174
Base-Backbone interact. energy: 0.417
local terms energy: -70.558993
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -161.815583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.815583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.815583 (E_RNA)
where:
Base-Base interactions energy: -96.538
where: short stacking energy: -51.591
Base-Backbone interact. energy: -0.026
local terms energy: -65.251530
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -116.806819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.806819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.806819 (E_RNA)
where:
Base-Base interactions energy: -63.353
where: short stacking energy: -41.897
Base-Backbone interact. energy: -0.481
local terms energy: -52.972546
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -92.648974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.648974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.648974 (E_RNA)
where:
Base-Base interactions energy: -37.464
where: short stacking energy: -38.064
Base-Backbone interact. energy: -0.002
local terms energy: -55.182043
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -7.166
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: 8, replica: 2
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -92.672963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.672963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.672963 (E_RNA)
where:
Base-Base interactions energy: -43.275
where: short stacking energy: -35.585
Base-Backbone interact. energy: 0.274
local terms energy: -49.672105
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -80.306891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.306891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.306891 (E_RNA)
where:
Base-Base interactions energy: -29.021
where: short stacking energy: -25.668
Base-Backbone interact. energy: -0.190
local terms energy: -51.096056
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -3.899
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: 90
Temperature: 1.350000
Total energy: -87.912263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.912263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.912263 (E_RNA)
where:
Base-Base interactions energy: -44.307
where: short stacking energy: -41.307
Base-Backbone interact. energy: -0.138
local terms energy: -43.467260
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -5.329
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: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -195.915249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.915249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.915249 (E_RNA)
where:
Base-Base interactions energy: -116.577
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.534
local terms energy: -78.804717
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -196.569466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.569466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.569466 (E_RNA)
where:
Base-Base interactions energy: -129.070
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.583
local terms energy: -66.915761
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -194.852105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.852105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.852105 (E_RNA)
where:
Base-Base interactions energy: -127.903
where: short stacking energy: -47.846
Base-Backbone interact. energy: 0.085
local terms energy: -67.033820
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -207.342876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.342876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.342876 (E_RNA)
where:
Base-Base interactions energy: -129.480
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.975
local terms energy: -76.887776
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -18.005
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: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -170.628571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.628571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.628571 (E_RNA)
where:
Base-Base interactions energy: -100.855
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.651
local terms energy: -69.122375
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -112.955316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.955316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.955316 (E_RNA)
where:
Base-Base interactions energy: -67.630
where: short stacking energy: -40.074
Base-Backbone interact. energy: -0.346
local terms energy: -44.978538
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -96.181992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.181992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.181992 (E_RNA)
where:
Base-Base interactions energy: -40.229
where: short stacking energy: -38.329
Base-Backbone interact. energy: -0.315
local terms energy: -55.637620
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -7.218
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: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -83.096853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.096853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.096853 (E_RNA)
where:
Base-Base interactions energy: -31.587
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.357
local terms energy: -51.153806
where:
bonds (distance) C4'-P energy: -9.135
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -2.725
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: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -85.704616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.704616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.704616 (E_RNA)
where:
Base-Base interactions energy: -29.379
where: short stacking energy: -29.379
Base-Backbone interact. energy: 0.116
local terms energy: -56.441776
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -7.146
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -13.416
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: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -77.179380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.179380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.179380 (E_RNA)
where:
Base-Base interactions energy: -30.129
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.008
local terms energy: -47.042343
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -0.866
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: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -209.597617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.597617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.597617 (E_RNA)
where:
Base-Base interactions energy: -139.481
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.315
local terms energy: -69.802012
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -178.188798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.188798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.188798 (E_RNA)
where:
Base-Base interactions energy: -110.755
where: short stacking energy: -53.488
Base-Backbone interact. energy: -0.019
local terms energy: -67.414848
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -202.125143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.125143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.125143 (E_RNA)
where:
Base-Base interactions energy: -130.356
where: short stacking energy: -63.270
Base-Backbone interact. energy: 0.249
local terms energy: -72.017966
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -197.081088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.081088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.081088 (E_RNA)
where:
Base-Base interactions energy: -127.166
where: short stacking energy: -55.860
Base-Backbone interact. energy: -0.031
local terms energy: -69.883998
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -16.413
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: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -169.008706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.008706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.008706 (E_RNA)
where:
Base-Base interactions energy: -103.085
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.417
local terms energy: -65.506602
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -11.588
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: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -118.603208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.603208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.603208 (E_RNA)
where:
Base-Base interactions energy: -63.600
where: short stacking energy: -30.922
Base-Backbone interact. energy: -0.660
local terms energy: -54.343217
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -4.283
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: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -88.611024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.611024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.611024 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -35.425
Base-Backbone interact. energy: 0.256
local terms energy: -49.346867
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -11.959
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: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -97.397111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.397111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.397111 (E_RNA)
where:
Base-Base interactions energy: -37.873
where: short stacking energy: -32.938
Base-Backbone interact. energy: -0.171
local terms energy: -59.352820
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -75.777697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.777697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.777697 (E_RNA)
where:
Base-Base interactions energy: -25.825
where: short stacking energy: -24.817
Base-Backbone interact. energy: 0.053
local terms energy: -50.005649
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -70.631003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.631003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.631003 (E_RNA)
where:
Base-Base interactions energy: -23.000
where: short stacking energy: -23.000
Base-Backbone interact. energy: -0.277
local terms energy: -47.354063
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -199.902909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.902909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.902909 (E_RNA)
where:
Base-Base interactions energy: -131.960
where: short stacking energy: -58.037
Base-Backbone interact. energy: -0.162
local terms energy: -67.780671
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -11.171
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: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -210.579503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.579503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.579503 (E_RNA)
where:
Base-Base interactions energy: -135.715
where: short stacking energy: -67.353
Base-Backbone interact. energy: -0.053
local terms energy: -74.811265
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -175.516056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.516056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.516056 (E_RNA)
where:
Base-Base interactions energy: -107.563
where: short stacking energy: -50.134
Base-Backbone interact. energy: -0.404
local terms energy: -67.549456
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -197.597539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.597539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.597539 (E_RNA)
where:
Base-Base interactions energy: -123.412
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.116
local terms energy: -74.069467
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -161.666806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.666806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.666806 (E_RNA)
where:
Base-Base interactions energy: -99.944
where: short stacking energy: -50.345
Base-Backbone interact. energy: -0.121
local terms energy: -61.601757
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -144.916881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.916881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.916881 (E_RNA)
where:
Base-Base interactions energy: -86.458
where: short stacking energy: -50.378
Base-Backbone interact. energy: -0.155
local terms energy: -58.303621
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -7.508
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: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -99.596246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.596246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.596246 (E_RNA)
where:
Base-Base interactions energy: -43.677
where: short stacking energy: -39.381
Base-Backbone interact. energy: -0.200
local terms energy: -55.719447
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -8.546
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: 93
Temperature: 1.250000
Total energy: -95.200259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.200259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.200259 (E_RNA)
where:
Base-Base interactions energy: -42.901
where: short stacking energy: -40.605
Base-Backbone interact. energy: 0.359
local terms energy: -52.657936
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -10.302
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: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -82.862469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.862469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.862469 (E_RNA)
where:
Base-Base interactions energy: -29.774
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.000
local terms energy: -53.088027
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -76.638439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.638439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.638439 (E_RNA)
where:
Base-Base interactions energy: -24.172
where: short stacking energy: -24.172
Base-Backbone interact. energy: 0.283
local terms energy: -52.748712
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -220.400702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.400702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.400702 (E_RNA)
where:
Base-Base interactions energy: -139.010
where: short stacking energy: -75.784
Base-Backbone interact. energy: -0.290
local terms energy: -81.101104
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -201.748583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.748583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.748583 (E_RNA)
where:
Base-Base interactions energy: -127.173
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.268
local terms energy: -74.307506
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -11.777
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: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -195.700029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.700029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.700029 (E_RNA)
where:
Base-Base interactions energy: -128.687
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.038
local terms energy: -66.975324
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -179.342253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.342253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.342253 (E_RNA)
where:
Base-Base interactions energy: -108.610
where: short stacking energy: -58.591
Base-Backbone interact. energy: -0.537
local terms energy: -70.194859
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -9.868
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: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -165.934488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.934488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.934488 (E_RNA)
where:
Base-Base interactions energy: -100.511
where: short stacking energy: -45.956
Base-Backbone interact. energy: -0.478
local terms energy: -64.944937
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -143.604508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.604508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.604508 (E_RNA)
where:
Base-Base interactions energy: -76.145
where: short stacking energy: -56.325
Base-Backbone interact. energy: -0.356
local terms energy: -67.103104
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -12.813
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: 94
Temperature: 1.200000
Total energy: -90.376831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.376831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.376831 (E_RNA)
where:
Base-Base interactions energy: -36.386
where: short stacking energy: -33.961
Base-Backbone interact. energy: -0.290
local terms energy: -53.701331
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -77.772788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.772788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.772788 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -28.055
Base-Backbone interact. energy: -0.302
local terms energy: -44.604518
where:
bonds (distance) C4'-P energy: -5.913
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -8.792
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: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -77.507778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.507778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.507778 (E_RNA)
where:
Base-Base interactions energy: -26.165
where: short stacking energy: -26.165
Base-Backbone interact. energy: -0.411
local terms energy: -50.932332
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: 0.149
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: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -77.076148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.076148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.076148 (E_RNA)
where:
Base-Base interactions energy: -35.903
where: short stacking energy: -28.809
Base-Backbone interact. energy: 0.711
local terms energy: -41.884137
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: 0.642
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: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -225.976657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.976657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.976657 (E_RNA)
where:
Base-Base interactions energy: -143.731
where: short stacking energy: -79.000
Base-Backbone interact. energy: -0.282
local terms energy: -81.963939
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -22.751
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: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -194.457394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.457394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.457394 (E_RNA)
where:
Base-Base interactions energy: -123.263
where: short stacking energy: -56.112
Base-Backbone interact. energy: -0.215
local terms energy: -70.979631
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -203.960950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.960950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.960950 (E_RNA)
where:
Base-Base interactions energy: -139.567
where: short stacking energy: -56.549
Base-Backbone interact. energy: -0.213
local terms energy: -64.180153
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -163.594700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.594700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.594700 (E_RNA)
where:
Base-Base interactions energy: -101.078
where: short stacking energy: -51.538
Base-Backbone interact. energy: -0.157
local terms energy: -62.359780
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -181.999655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.999655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.999655 (E_RNA)
where:
Base-Base interactions energy: -116.892
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.005
local terms energy: -65.101911
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -16.798
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: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -105.294674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.294674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.294674 (E_RNA)
where:
Base-Base interactions energy: -56.969
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.260
local terms energy: -48.065501
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -92.597323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.597323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.597323 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -34.064
Base-Backbone interact. energy: -0.116
local terms energy: -57.953341
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.909
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: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -87.560535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.560535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.560535 (E_RNA)
where:
Base-Base interactions energy: -38.686
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.284
local terms energy: -48.589827
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -86.349456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.349456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.349456 (E_RNA)
where:
Base-Base interactions energy: -27.204
where: short stacking energy: -27.204
Base-Backbone interact. energy: -0.033
local terms energy: -59.113164
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -87.309972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.309972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.309972 (E_RNA)
where:
Base-Base interactions energy: -39.232
where: short stacking energy: -39.232
Base-Backbone interact. energy: -0.078
local terms energy: -48.000458
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -3.221
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: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -204.153378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.153378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.153378 (E_RNA)
where:
Base-Base interactions energy: -125.841
where: short stacking energy: -63.954
Base-Backbone interact. energy: -1.420
local terms energy: -76.892725
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -205.604022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.604022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.604022 (E_RNA)
where:
Base-Base interactions energy: -134.740
where: short stacking energy: -73.015
Base-Backbone interact. energy: -0.849
local terms energy: -70.015465
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -20.907
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: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -178.023504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.023504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.023504 (E_RNA)
where:
Base-Base interactions energy: -111.405
where: short stacking energy: -62.092
Base-Backbone interact. energy: 0.234
local terms energy: -66.852788
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -14.465
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: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -190.531845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.531845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.531845 (E_RNA)
where:
Base-Base interactions energy: -127.338
where: short stacking energy: -61.944
Base-Backbone interact. energy: 0.512
local terms energy: -63.705501
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -10.719
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: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -154.176047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.176047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.176047 (E_RNA)
where:
Base-Base interactions energy: -92.127
where: short stacking energy: -42.038
Base-Backbone interact. energy: -0.005
local terms energy: -62.044386
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -7.474
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -13.353
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -104.286941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.286941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.286941 (E_RNA)
where:
Base-Base interactions energy: -43.805
where: short stacking energy: -43.805
Base-Backbone interact. energy: -0.098
local terms energy: -60.384124
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -10.146
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: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -105.026451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.026451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.026451 (E_RNA)
where:
Base-Base interactions energy: -51.331
where: short stacking energy: -37.979
Base-Backbone interact. energy: -0.273
local terms energy: -53.422445
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -84.861614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.861614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.861614 (E_RNA)
where:
Base-Base interactions energy: -32.360
where: short stacking energy: -32.360
Base-Backbone interact. energy: -1.605
local terms energy: -50.896742
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -2.535
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: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -80.817153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.817153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.817153 (E_RNA)
where:
Base-Base interactions energy: -35.599
where: short stacking energy: -35.599
Base-Backbone interact. energy: -0.136
local terms energy: -45.081797
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -5.588
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -74.355681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.355681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.355681 (E_RNA)
where:
Base-Base interactions energy: -27.060
where: short stacking energy: -18.682
Base-Backbone interact. energy: 0.603
local terms energy: -47.898491
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -209.575001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.575001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.575001 (E_RNA)
where:
Base-Base interactions energy: -135.020
where: short stacking energy: -69.277
Base-Backbone interact. energy: -0.026
local terms energy: -74.529114
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -209.445754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.445754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.445754 (E_RNA)
where:
Base-Base interactions energy: -136.199
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.001
local terms energy: -73.245780
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -183.052983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.052983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.052983 (E_RNA)
where:
Base-Base interactions energy: -116.203
where: short stacking energy: -62.443
Base-Backbone interact. energy: 0.432
local terms energy: -67.282281
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -184.915033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.915033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.915033 (E_RNA)
where:
Base-Base interactions energy: -114.543
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.577
local terms energy: -69.794971
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -190.022598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.022598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.022598 (E_RNA)
where:
Base-Base interactions energy: -124.775
where: short stacking energy: -57.675
Base-Backbone interact. energy: -1.071
local terms energy: -64.176915
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -85.922620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.922620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.922620 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.188
local terms energy: -54.104059
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -108.325984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.325984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.325984 (E_RNA)
where:
Base-Base interactions energy: -44.146
where: short stacking energy: -44.146
Base-Backbone interact. energy: -0.001
local terms energy: -64.178801
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -9.309
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: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -79.729367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.729367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.729367 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -29.183
Base-Backbone interact. energy: -0.273
local terms energy: -46.557544
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -10.737
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: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -83.685179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.685179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.685179 (E_RNA)
where:
Base-Base interactions energy: -24.277
where: short stacking energy: -24.239
Base-Backbone interact. energy: -0.128
local terms energy: -59.280271
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -80.143811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.143811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.143811 (E_RNA)
where:
Base-Base interactions energy: -28.621
where: short stacking energy: -28.621
Base-Backbone interact. energy: -0.016
local terms energy: -51.506955
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -7.792
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: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -210.601620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.601620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.601620 (E_RNA)
where:
Base-Base interactions energy: -136.787
where: short stacking energy: -75.134
Base-Backbone interact. energy: -0.182
local terms energy: -73.632361
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -191.853166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.853166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.853166 (E_RNA)
where:
Base-Base interactions energy: -120.942
where: short stacking energy: -61.271
Base-Backbone interact. energy: -0.010
local terms energy: -70.901581
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -14.894
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: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -191.532518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.532518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.532518 (E_RNA)
where:
Base-Base interactions energy: -117.248
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.001
local terms energy: -74.283720
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.989
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -167.458970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.458970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.458970 (E_RNA)
where:
Base-Base interactions energy: -94.321
where: short stacking energy: -55.363
Base-Backbone interact. energy: 1.381
local terms energy: -74.519068
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -12.081
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: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -192.898655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.898655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.898655 (E_RNA)
where:
Base-Base interactions energy: -121.163
where: short stacking energy: -66.383
Base-Backbone interact. energy: -0.870
local terms energy: -70.865687
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -85.678831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.678831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.678831 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -23.551
Base-Backbone interact. energy: -0.339
local terms energy: -48.359373
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -0.931
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: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -85.898220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.898220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.898220 (E_RNA)
where:
Base-Base interactions energy: -48.185
where: short stacking energy: -24.966
Base-Backbone interact. energy: 0.518
local terms energy: -38.231294
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -3.834
tors. eta vs tors. theta energy: 4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -116.396429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.396429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.396429 (E_RNA)
where:
Base-Base interactions energy: -60.494
where: short stacking energy: -40.077
Base-Backbone interact. energy: -0.307
local terms energy: -55.595477
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -9.827
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: 98
Temperature: 1.300000
Total energy: -93.614790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.614790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.614790 (E_RNA)
where:
Base-Base interactions energy: -43.438
where: short stacking energy: -40.941
Base-Backbone interact. energy: -0.004
local terms energy: -50.172821
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -73.875047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.875047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.875047 (E_RNA)
where:
Base-Base interactions energy: -27.943
where: short stacking energy: -23.758
Base-Backbone interact. energy: -0.098
local terms energy: -45.833727
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -211.900909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.900909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.900909 (E_RNA)
where:
Base-Base interactions energy: -133.411
where: short stacking energy: -70.877
Base-Backbone interact. energy: -0.075
local terms energy: -78.414778
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -12.193
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: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -195.430772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.430772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.430772 (E_RNA)
where:
Base-Base interactions energy: -127.395
where: short stacking energy: -57.625
Base-Backbone interact. energy: -0.248
local terms energy: -67.788163
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -18.874
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: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -177.253896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.253896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.253896 (E_RNA)
where:
Base-Base interactions energy: -114.074
where: short stacking energy: -64.852
Base-Backbone interact. energy: -0.932
local terms energy: -62.248005
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -201.244277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.244277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.244277 (E_RNA)
where:
Base-Base interactions energy: -125.091
where: short stacking energy: -71.026
Base-Backbone interact. energy: -1.019
local terms energy: -75.134345
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -20.784
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: 99
Temperature: 1.100000
Total energy: -180.177222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.177222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.177222 (E_RNA)
where:
Base-Base interactions energy: -109.271
where: short stacking energy: -56.187
Base-Backbone interact. energy: -1.085
local terms energy: -69.821677
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -95.821686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.821686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.821686 (E_RNA)
where:
Base-Base interactions energy: -45.601
where: short stacking energy: -32.851
Base-Backbone interact. energy: -0.149
local terms energy: -50.071578
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -95.367258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.367258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.367258 (E_RNA)
where:
Base-Base interactions energy: -47.593
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.038
local terms energy: -47.735916
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -3.982
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: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -98.232759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.232759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.232759 (E_RNA)
where:
Base-Base interactions energy: -39.667
where: short stacking energy: -30.155
Base-Backbone interact. energy: -0.233
local terms energy: -58.331897
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -89.356035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.356035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.356035 (E_RNA)
where:
Base-Base interactions energy: -38.783
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.112
local terms energy: -50.461645
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -0.989
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: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -80.931869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.931869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.931869 (E_RNA)
where:
Base-Base interactions energy: -30.187
where: short stacking energy: -30.187
Base-Backbone interact. energy: -0.022
local terms energy: -50.722761
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -206.972192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.972192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.972192 (E_RNA)
where:
Base-Base interactions energy: -126.945
where: short stacking energy: -63.276
Base-Backbone interact. energy: 1.179
local terms energy: -81.205456
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -211.850363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.850363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.850363 (E_RNA)
where:
Base-Base interactions energy: -132.731
where: short stacking energy: -68.168
Base-Backbone interact. energy: -0.875
local terms energy: -78.244602
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -20.648
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: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -201.629932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.629932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.629932 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -65.693
Base-Backbone interact. energy: 0.212
local terms energy: -74.771868
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -19.293
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: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -177.651357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.651357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.651357 (E_RNA)
where:
Base-Base interactions energy: -111.157
where: short stacking energy: -60.508
Base-Backbone interact. energy: 0.017
local terms energy: -66.511399
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -174.796911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.796911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.796911 (E_RNA)
where:
Base-Base interactions energy: -115.564
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.998
local terms energy: -58.234603
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -129.755692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.755692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.755692 (E_RNA)
where:
Base-Base interactions energy: -64.923
where: short stacking energy: -32.771
Base-Backbone interact. energy: 0.161
local terms energy: -64.993229
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -102.269359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.269359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.269359 (E_RNA)
where:
Base-Base interactions energy: -50.929
where: short stacking energy: -47.677
Base-Backbone interact. energy: -0.807
local terms energy: -50.533205
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -6.862
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -95.339752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.339752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.339752 (E_RNA)
where:
Base-Base interactions energy: -41.568
where: short stacking energy: -31.146
Base-Backbone interact. energy: -0.344
local terms energy: -53.428481
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -6.756
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -79.990999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.990999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.990999 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -31.840
Base-Backbone interact. energy: -0.622
local terms energy: -42.614868
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -5.225
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: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -84.287833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.287833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.287833 (E_RNA)
where:
Base-Base interactions energy: -45.310
where: short stacking energy: -32.243
Base-Backbone interact. energy: -0.003
local terms energy: -38.975064
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -202.930214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.930214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.930214 (E_RNA)
where:
Base-Base interactions energy: -125.575
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.245
local terms energy: -77.109693
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -212.693619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.693619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.693619 (E_RNA)
where:
Base-Base interactions energy: -131.468
where: short stacking energy: -72.019
Base-Backbone interact. energy: -0.600
local terms energy: -80.625005
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -203.396034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.396034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.396034 (E_RNA)
where:
Base-Base interactions energy: -131.866
where: short stacking energy: -71.274
Base-Backbone interact. energy: -0.001
local terms energy: -71.528625
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.110
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: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -170.344031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.344031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.344031 (E_RNA)
where:
Base-Base interactions energy: -101.749
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.453
local terms energy: -68.142517
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -164.741126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.741126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.741126 (E_RNA)
where:
Base-Base interactions energy: -98.095
where: short stacking energy: -51.045
Base-Backbone interact. energy: -0.054
local terms energy: -66.591350
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -105.409779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.409779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.409779 (E_RNA)
where:
Base-Base interactions energy: -47.538
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.068
local terms energy: -57.803163
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -93.774344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.774344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.774344 (E_RNA)
where:
Base-Base interactions energy: -42.339
where: short stacking energy: -42.339
Base-Backbone interact. energy: -0.147
local terms energy: -51.287641
where:
bonds (distance) C4'-P energy: -7.459
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -11.180
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: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -84.736706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.736706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.736706 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -30.047
Base-Backbone interact. energy: 0.200
local terms energy: -54.296527
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -2.250
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: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -105.296830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.296830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.296830 (E_RNA)
where:
Base-Base interactions energy: -55.562
where: short stacking energy: -39.824
Base-Backbone interact. energy: -0.392
local terms energy: -49.343293
where:
bonds (distance) C4'-P energy: -6.423
bonds (distance) P-C4' energy: -8.149
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -84.167488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.167488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.167488 (E_RNA)
where:
Base-Base interactions energy: -38.163
where: short stacking energy: -37.616
Base-Backbone interact. energy: 0.783
local terms energy: -46.787838
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -213.282961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.282961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.282961 (E_RNA)
where:
Base-Base interactions energy: -137.819
where: short stacking energy: -64.554
Base-Backbone interact. energy: -0.014
local terms energy: -75.449866
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -199.149317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.149317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.149317 (E_RNA)
where:
Base-Base interactions energy: -125.880
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.041
local terms energy: -73.228218
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -16.473
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: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -202.081676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.081676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.081676 (E_RNA)
where:
Base-Base interactions energy: -131.004
where: short stacking energy: -68.802
Base-Backbone interact. energy: -0.010
local terms energy: -71.067928
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.135
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: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -171.947691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.947691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.947691 (E_RNA)
where:
Base-Base interactions energy: -106.048
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.113
local terms energy: -65.786593
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -14.239
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: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -164.226082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.226082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.226082 (E_RNA)
where:
Base-Base interactions energy: -95.632
where: short stacking energy: -51.794
Base-Backbone interact. energy: -0.017
local terms energy: -68.577050
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -94.439372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.439372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.439372 (E_RNA)
where:
Base-Base interactions energy: -43.118
where: short stacking energy: -34.381
Base-Backbone interact. energy: 1.341
local terms energy: -52.662895
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -88.256965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.256965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.256965 (E_RNA)
where:
Base-Base interactions energy: -38.861
where: short stacking energy: -38.861
Base-Backbone interact. energy: -0.121
local terms energy: -49.274095
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -4.980
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -86.339425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.339425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.339425 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -26.511
Base-Backbone interact. energy: -0.265
local terms energy: -49.632807
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -87.288406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.288406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.288406 (E_RNA)
where:
Base-Base interactions energy: -30.736
where: short stacking energy: -30.736
Base-Backbone interact. energy: -0.080
local terms energy: -56.472184
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -1.325
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: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -110.151039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.151039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.151039 (E_RNA)
where:
Base-Base interactions energy: -48.159
where: short stacking energy: -39.524
Base-Backbone interact. energy: -2.561
local terms energy: -59.431877
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -11.663
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: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -223.572258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.572258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.572258 (E_RNA)
where:
Base-Base interactions energy: -143.087
where: short stacking energy: -75.603
Base-Backbone interact. energy: -0.018
local terms energy: -80.467736
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -210.100571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.100571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.100571 (E_RNA)
where:
Base-Base interactions energy: -129.895
where: short stacking energy: -70.964
Base-Backbone interact. energy: -0.361
local terms energy: -79.844144
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -19.367
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: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -196.870507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.870507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.870507 (E_RNA)
where:
Base-Base interactions energy: -127.078
where: short stacking energy: -63.277
Base-Backbone interact. energy: -0.148
local terms energy: -69.644336
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -16.591
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: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -173.610564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.610564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.610564 (E_RNA)
where:
Base-Base interactions energy: -110.354
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.855
local terms energy: -62.402275
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -172.999354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.999354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.999354 (E_RNA)
where:
Base-Base interactions energy: -108.302
where: short stacking energy: -56.575
Base-Backbone interact. energy: -0.015
local terms energy: -64.682407
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -13.862
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: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -93.033735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.033735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.033735 (E_RNA)
where:
Base-Base interactions energy: -36.132
where: short stacking energy: -36.132
Base-Backbone interact. energy: -0.112
local terms energy: -56.789939
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -11.003
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: 7, replica: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -93.146817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.146817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.146817 (E_RNA)
where:
Base-Base interactions energy: -36.038
where: short stacking energy: -34.874
Base-Backbone interact. energy: -0.319
local terms energy: -56.790387
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -9.548
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: 103
Temperature: 1.250000
Total energy: -86.282453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.282453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.282453 (E_RNA)
where:
Base-Base interactions energy: -31.955
where: short stacking energy: -24.546
Base-Backbone interact. energy: -0.253
local terms energy: -54.073874
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -5.583
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: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -80.865610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.865610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.865610 (E_RNA)
where:
Base-Base interactions energy: -35.923
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.120
local terms energy: -44.822531
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -3.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -80.079976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.079976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.079976 (E_RNA)
where:
Base-Base interactions energy: -32.725
where: short stacking energy: -24.661
Base-Backbone interact. energy: -0.476
local terms energy: -46.879281
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -2.559
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: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -221.513224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.513224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.513224 (E_RNA)
where:
Base-Base interactions energy: -137.350
where: short stacking energy: -75.302
Base-Backbone interact. energy: -0.018
local terms energy: -84.145060
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -216.830737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.830737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.830737 (E_RNA)
where:
Base-Base interactions energy: -138.277
where: short stacking energy: -67.048
Base-Backbone interact. energy: -0.621
local terms energy: -77.932547
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -196.570691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.570691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.570691 (E_RNA)
where:
Base-Base interactions energy: -130.241
where: short stacking energy: -67.887
Base-Backbone interact. energy: -0.064
local terms energy: -66.265465
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -8.260
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: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -174.200078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.200078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.200078 (E_RNA)
where:
Base-Base interactions energy: -105.372
where: short stacking energy: -53.087
Base-Backbone interact. energy: -0.068
local terms energy: -68.759726
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -162.694673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.694673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.694673 (E_RNA)
where:
Base-Base interactions energy: -96.155
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.102
local terms energy: -66.437736
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -11.123
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: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -103.621613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.621613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.621613 (E_RNA)
where:
Base-Base interactions energy: -48.585
where: short stacking energy: -39.621
Base-Backbone interact. energy: 0.006
local terms energy: -55.041915
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -85.354407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.354407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.354407 (E_RNA)
where:
Base-Base interactions energy: -33.416
where: short stacking energy: -31.281
Base-Backbone interact. energy: -0.105
local terms energy: -51.833425
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -6.521
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: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -82.756672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.756672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.756672 (E_RNA)
where:
Base-Base interactions energy: -28.405
where: short stacking energy: -28.405
Base-Backbone interact. energy: 1.991
local terms energy: -56.342689
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -86.404950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.404950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.404950 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -32.138
Base-Backbone interact. energy: -0.024
local terms energy: -53.585953
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -6.754
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: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -78.617067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.617067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.617067 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -29.526
Base-Backbone interact. energy: -0.015
local terms energy: -49.075462
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -217.796801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.796801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.796801 (E_RNA)
where:
Base-Base interactions energy: -140.510
where: short stacking energy: -71.989
Base-Backbone interact. energy: -0.014
local terms energy: -77.272787
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -21.638
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: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -214.052753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.052753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.052753 (E_RNA)
where:
Base-Base interactions energy: -135.998
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.267
local terms energy: -77.787240
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -186.096469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.096469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.096469 (E_RNA)
where:
Base-Base interactions energy: -116.637
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.064
local terms energy: -69.396156
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -173.658764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.658764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.658764 (E_RNA)
where:
Base-Base interactions energy: -96.006
where: short stacking energy: -55.149
Base-Backbone interact. energy: -2.461
local terms energy: -75.191527
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -157.891436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.891436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.891436 (E_RNA)
where:
Base-Base interactions energy: -90.491
where: short stacking energy: -43.056
Base-Backbone interact. energy: -0.136
local terms energy: -67.264141
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -96.860346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.860346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.860346 (E_RNA)
where:
Base-Base interactions energy: -42.325
where: short stacking energy: -32.550
Base-Backbone interact. energy: -0.080
local terms energy: -54.455502
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -7.967
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: 105
Temperature: 1.200000
Total energy: -105.295523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.295523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.295523 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -39.661
Base-Backbone interact. energy: -0.055
local terms energy: -65.580010
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -9.639
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: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -91.701121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.701121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.701121 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -29.256
Base-Backbone interact. energy: -0.175
local terms energy: -60.776694
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -13.794
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: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -86.169977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.169977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.169977 (E_RNA)
where:
Base-Base interactions energy: -31.557
where: short stacking energy: -28.203
Base-Backbone interact. energy: 0.512
local terms energy: -55.124263
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -90.214498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.214498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.214498 (E_RNA)
where:
Base-Base interactions energy: -47.520
where: short stacking energy: -38.441
Base-Backbone interact. energy: -0.060
local terms energy: -42.634087
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -9.314
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -215.222564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.222564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.222564 (E_RNA)
where:
Base-Base interactions energy: -141.329
where: short stacking energy: -70.741
Base-Backbone interact. energy: -0.098
local terms energy: -73.795000
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -211.924375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.924375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.924375 (E_RNA)
where:
Base-Base interactions energy: -138.759
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.436
local terms energy: -72.728833
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -20.789
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: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -188.866004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.866004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.866004 (E_RNA)
where:
Base-Base interactions energy: -120.626
where: short stacking energy: -57.573
Base-Backbone interact. energy: -0.015
local terms energy: -68.224744
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -176.762301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.762301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.762301 (E_RNA)
where:
Base-Base interactions energy: -103.340
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.024
local terms energy: -73.398620
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -157.272496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.272496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.272496 (E_RNA)
where:
Base-Base interactions energy: -82.390
where: short stacking energy: -44.405
Base-Backbone interact. energy: -1.081
local terms energy: -73.801455
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -108.207212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.207212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.207212 (E_RNA)
where:
Base-Base interactions energy: -51.943
where: short stacking energy: -51.943
Base-Backbone interact. energy: -0.044
local terms energy: -56.220448
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -11.272
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: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -91.388650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.388650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.388650 (E_RNA)
where:
Base-Base interactions energy: -42.394
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.349
local terms energy: -48.645975
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -80.785793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.785793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.785793 (E_RNA)
where:
Base-Base interactions energy: -28.108
where: short stacking energy: -28.108
Base-Backbone interact. energy: -0.029
local terms energy: -52.648824
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -7.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -80.886779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.886779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.886779 (E_RNA)
where:
Base-Base interactions energy: -28.162
where: short stacking energy: -27.856
Base-Backbone interact. energy: -0.391
local terms energy: -52.333760
where:
bonds (distance) C4'-P energy: -6.695
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -72.058798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.058798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.058798 (E_RNA)
where:
Base-Base interactions energy: -30.847
where: short stacking energy: -27.840
Base-Backbone interact. energy: -1.351
local terms energy: -39.861113
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -0.163
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: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -209.808596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.808596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.808596 (E_RNA)
where:
Base-Base interactions energy: -136.626
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.048
local terms energy: -73.134611
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -203.783637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.783637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.783637 (E_RNA)
where:
Base-Base interactions energy: -129.887
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.004
local terms energy: -73.892822
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -195.799313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.799313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.799313 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -63.878
Base-Backbone interact. energy: -0.079
local terms energy: -63.643934
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -163.888260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.888260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.888260 (E_RNA)
where:
Base-Base interactions energy: -98.986
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.413
local terms energy: -64.489583
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -176.603937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.603937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.603937 (E_RNA)
where:
Base-Base interactions energy: -114.918
where: short stacking energy: -63.672
Base-Backbone interact. energy: -0.101
local terms energy: -61.585528
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -13.414
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: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -104.595456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.595456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.595456 (E_RNA)
where:
Base-Base interactions energy: -49.958
where: short stacking energy: -49.958
Base-Backbone interact. energy: -0.101
local terms energy: -54.536141
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -1.252
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -106.667981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.667981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.667981 (E_RNA)
where:
Base-Base interactions energy: -49.383
where: short stacking energy: -28.132
Base-Backbone interact. energy: -0.139
local terms energy: -57.145948
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -90.620869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.620869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.620869 (E_RNA)
where:
Base-Base interactions energy: -33.629
where: short stacking energy: -33.629
Base-Backbone interact. energy: -0.121
local terms energy: -56.871235
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -2.403
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: 107
Temperature: 1.300000
Total energy: -77.764750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.764750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.764750 (E_RNA)
where:
Base-Base interactions energy: -33.478
where: short stacking energy: -33.478
Base-Backbone interact. energy: -0.189
local terms energy: -44.097463
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -75.706688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.706688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.706688 (E_RNA)
where:
Base-Base interactions energy: -18.337
where: short stacking energy: -14.736
Base-Backbone interact. energy: 1.769
local terms energy: -59.138307
where:
bonds (distance) C4'-P energy: -8.731
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -6.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -220.672233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.672233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.672233 (E_RNA)
where:
Base-Base interactions energy: -137.566
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.562
local terms energy: -82.543659
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -20.019
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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -212.307472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.307472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.307472 (E_RNA)
where:
Base-Base interactions energy: -132.026
where: short stacking energy: -71.184
Base-Backbone interact. energy: -0.316
local terms energy: -79.966254
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -19.624
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: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -169.623703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.623703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.623703 (E_RNA)
where:
Base-Base interactions energy: -98.498
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.436
local terms energy: -70.690288
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -202.562428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.562428 (E_RNA)
where:
Base-Base interactions energy: -136.078
where: short stacking energy: -70.186
Base-Backbone interact. energy: -0.003
local terms energy: -66.481337
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -178.097907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.097907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.097907 (E_RNA)
where:
Base-Base interactions energy: -103.353
where: short stacking energy: -53.374
Base-Backbone interact. energy: -0.353
local terms energy: -74.392234
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -108.676361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.676361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.676361 (E_RNA)
where:
Base-Base interactions energy: -50.626
where: short stacking energy: -42.473
Base-Backbone interact. energy: -0.619
local terms energy: -57.431256
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -95.805524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.805524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.805524 (E_RNA)
where:
Base-Base interactions energy: -42.981
where: short stacking energy: -40.210
Base-Backbone interact. energy: -0.062
local terms energy: -52.762500
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -1.803
tors. eta vs tors. theta energy: -10.481
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: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -80.045707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.045707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.045707 (E_RNA)
where:
Base-Base interactions energy: -29.219
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.128
local terms energy: -50.699392
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -75.415076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.415076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.415076 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -25.916
Base-Backbone interact. energy: -0.436
local terms energy: -44.593387
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: 2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -69.573479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.573479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.573479 (E_RNA)
where:
Base-Base interactions energy: -21.909
where: short stacking energy: -20.394
Base-Backbone interact. energy: -0.100
local terms energy: -47.564399
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: 2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -222.516347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.516347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.516347 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.522
local terms energy: -81.634985
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -11.602
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: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -217.551534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.551534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.551534 (E_RNA)
where:
Base-Base interactions energy: -136.888
where: short stacking energy: -73.017
Base-Backbone interact. energy: -0.068
local terms energy: -80.596173
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -173.433595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.433595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.433595 (E_RNA)
where:
Base-Base interactions energy: -105.299
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.154
local terms energy: -67.980160
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -13.182
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: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -195.928555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.928555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.928555 (E_RNA)
where:
Base-Base interactions energy: -126.595
where: short stacking energy: -60.045
Base-Backbone interact. energy: -0.077
local terms energy: -69.255937
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -173.331373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.331373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.331373 (E_RNA)
where:
Base-Base interactions energy: -109.223
where: short stacking energy: -59.100
Base-Backbone interact. energy: 0.151
local terms energy: -64.259168
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.107
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: 109
Temperature: 1.150000
Total energy: -102.740299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.740299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.740299 (E_RNA)
where:
Base-Base interactions energy: -49.459
where: short stacking energy: -45.920
Base-Backbone interact. energy: -0.168
local terms energy: -53.113642
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -95.806479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.806479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.806479 (E_RNA)
where:
Base-Base interactions energy: -44.246
where: short stacking energy: -20.030
Base-Backbone interact. energy: -0.429
local terms energy: -51.131477
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -9.399
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: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -83.643000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.643000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.643000 (E_RNA)
where:
Base-Base interactions energy: -26.218
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.133
local terms energy: -57.291432
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -3.777
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: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -88.815297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.815297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.815297 (E_RNA)
where:
Base-Base interactions energy: -30.165
where: short stacking energy: -30.165
Base-Backbone interact. energy: -0.039
local terms energy: -58.610980
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -5.501
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: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -73.701579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.701579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.701579 (E_RNA)
where:
Base-Base interactions energy: -24.284
where: short stacking energy: -24.284
Base-Backbone interact. energy: 0.199
local terms energy: -49.616130
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -212.815464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.815464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.815464 (E_RNA)
where:
Base-Base interactions energy: -132.744
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.789
local terms energy: -79.282972
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -216.947016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.947016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.947016 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -72.749
Base-Backbone interact. energy: -0.654
local terms energy: -74.661574
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -196.054882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.054882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.054882 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -63.578
Base-Backbone interact. energy: -1.357
local terms energy: -64.609936
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -14.715
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: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -172.760210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.760210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.760210 (E_RNA)
where:
Base-Base interactions energy: -107.958
where: short stacking energy: -59.142
Base-Backbone interact. energy: 0.595
local terms energy: -65.396502
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -174.272995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.272995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.272995 (E_RNA)
where:
Base-Base interactions energy: -106.735
where: short stacking energy: -59.491
Base-Backbone interact. energy: -0.302
local terms energy: -67.236022
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -91.451029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.451029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.451029 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.072
local terms energy: -57.711501
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -87.256918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.256918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.256918 (E_RNA)
where:
Base-Base interactions energy: -37.875
where: short stacking energy: -30.974
Base-Backbone interact. energy: -0.066
local terms energy: -49.316192
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -89.110671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.110671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.110671 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -27.427
Base-Backbone interact. energy: -0.302
local terms energy: -57.304031
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -87.948449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.948449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.948449 (E_RNA)
where:
Base-Base interactions energy: -27.895
where: short stacking energy: -26.582
Base-Backbone interact. energy: -0.480
local terms energy: -59.572722
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -8.773
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: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -85.021104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.021104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.021104 (E_RNA)
where:
Base-Base interactions energy: -33.606
where: short stacking energy: -30.923
Base-Backbone interact. energy: -0.066
local terms energy: -51.349229
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -221.085817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.085817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.085817 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -73.910
Base-Backbone interact. energy: -2.401
local terms energy: -78.890467
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -201.612420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.612420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.612420 (E_RNA)
where:
Base-Base interactions energy: -133.551
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.060
local terms energy: -68.001569
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -192.011416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.011416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.011416 (E_RNA)
where:
Base-Base interactions energy: -123.809
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.660
local terms energy: -67.542313
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -160.510560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.510560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.510560 (E_RNA)
where:
Base-Base interactions energy: -99.233
where: short stacking energy: -46.907
Base-Backbone interact. energy: -0.135
local terms energy: -61.142740
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -10.428
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: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -167.313610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.313610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.313610 (E_RNA)
where:
Base-Base interactions energy: -102.911
where: short stacking energy: -56.171
Base-Backbone interact. energy: 0.455
local terms energy: -64.857856
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -12.135
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: 111
Temperature: 1.150000
Total energy: -89.508332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.508332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.508332 (E_RNA)
where:
Base-Base interactions energy: -36.205
where: short stacking energy: -34.681
Base-Backbone interact. energy: -0.061
local terms energy: -53.243070
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -96.150143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.150143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.150143 (E_RNA)
where:
Base-Base interactions energy: -40.357
where: short stacking energy: -35.869
Base-Backbone interact. energy: -0.371
local terms energy: -55.421948
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -95.027289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.027289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.027289 (E_RNA)
where:
Base-Base interactions energy: -42.672
where: short stacking energy: -42.672
Base-Backbone interact. energy: -0.169
local terms energy: -52.186829
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -5.190
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: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -73.542868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.542868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.542868 (E_RNA)
where:
Base-Base interactions energy: -21.728
where: short stacking energy: -13.453
Base-Backbone interact. energy: -0.904
local terms energy: -50.910350
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -86.990427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.990427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.990427 (E_RNA)
where:
Base-Base interactions energy: -34.013
where: short stacking energy: -32.715
Base-Backbone interact. energy: -0.181
local terms energy: -52.796096
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -9.837
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -213.310069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.310069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.310069 (E_RNA)
where:
Base-Base interactions energy: -133.832
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.817
local terms energy: -78.660791
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -21.115
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: 112
Temperature: 0.950000
Total energy: -202.397379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.397379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.397379 (E_RNA)
where:
Base-Base interactions energy: -128.451
where: short stacking energy: -63.825
Base-Backbone interact. energy: -0.424
local terms energy: -73.522447
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -192.993226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.993226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.993226 (E_RNA)
where:
Base-Base interactions energy: -126.294
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.002
local terms energy: -66.697218
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -14.512
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: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -176.741716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.741716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.741716 (E_RNA)
where:
Base-Base interactions energy: -111.452
where: short stacking energy: -60.014
Base-Backbone interact. energy: -1.068
local terms energy: -64.221142
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -167.036474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.036474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.036474 (E_RNA)
where:
Base-Base interactions energy: -105.419
where: short stacking energy: -52.702
Base-Backbone interact. energy: -0.052
local terms energy: -61.565544
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -13.232
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: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -98.393195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.393195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.393195 (E_RNA)
where:
Base-Base interactions energy: -52.640
where: short stacking energy: -45.921
Base-Backbone interact. energy: -0.042
local terms energy: -45.712019
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -9.317
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -96.890536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.890536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.890536 (E_RNA)
where:
Base-Base interactions energy: -41.373
where: short stacking energy: -40.938
Base-Backbone interact. energy: -0.225
local terms energy: -55.292416
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -78.381418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.381418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.381418 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -22.070
Base-Backbone interact. energy: -0.342
local terms energy: -46.175071
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -79.432482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.432482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.432482 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -28.563
Base-Backbone interact. energy: -0.104
local terms energy: -50.765227
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -3.650
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -6.920
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: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -81.727612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727612 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -30.101
Base-Backbone interact. energy: -0.070
local terms energy: -51.556321
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -1.465
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: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -215.085618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.085618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.085618 (E_RNA)
where:
Base-Base interactions energy: -138.310
where: short stacking energy: -64.829
Base-Backbone interact. energy: -0.364
local terms energy: -76.411471
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -208.342989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.342989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.342989 (E_RNA)
where:
Base-Base interactions energy: -132.809
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.659
local terms energy: -74.874754
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -17.338
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: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -197.115389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.115389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.115389 (E_RNA)
where:
Base-Base interactions energy: -130.237
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.037
local terms energy: -66.841439
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -180.370958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370958 (E_RNA)
where:
Base-Base interactions energy: -110.159
where: short stacking energy: -63.420
Base-Backbone interact. energy: 0.787
local terms energy: -70.999509
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -161.317594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.317594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.317594 (E_RNA)
where:
Base-Base interactions energy: -95.620
where: short stacking energy: -53.749
Base-Backbone interact. energy: -0.175
local terms energy: -65.521969
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -84.601675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.601675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.601675 (E_RNA)
where:
Base-Base interactions energy: -31.125
where: short stacking energy: -24.337
Base-Backbone interact. energy: -0.851
local terms energy: -52.626069
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -90.001872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.001872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.001872 (E_RNA)
where:
Base-Base interactions energy: -35.584
where: short stacking energy: -35.584
Base-Backbone interact. energy: -0.034
local terms energy: -54.383708
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -8.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -79.263083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.263083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.263083 (E_RNA)
where:
Base-Base interactions energy: -31.126
where: short stacking energy: -29.646
Base-Backbone interact. energy: 1.189
local terms energy: -49.325756
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: 0.282
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: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -84.465426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.465426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.465426 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -35.496
Base-Backbone interact. energy: -0.298
local terms energy: -48.671859
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -6.538
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -86.215420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.215420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.215420 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -30.817
Base-Backbone interact. energy: -0.174
local terms energy: -51.675768
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -216.699708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.699708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.699708 (E_RNA)
where:
Base-Base interactions energy: -135.394
where: short stacking energy: -69.010
Base-Backbone interact. energy: -0.311
local terms energy: -80.995567
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -211.252708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.252708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.252708 (E_RNA)
where:
Base-Base interactions energy: -134.628
where: short stacking energy: -75.256
Base-Backbone interact. energy: 0.377
local terms energy: -77.001549
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -208.105530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.105530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.105530 (E_RNA)
where:
Base-Base interactions energy: -139.879
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.000
local terms energy: -68.226232
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -171.261097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.261097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.261097 (E_RNA)
where:
Base-Base interactions energy: -101.351
where: short stacking energy: -51.576
Base-Backbone interact. energy: -0.286
local terms energy: -69.623988
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -149.689451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.689451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.689451 (E_RNA)
where:
Base-Base interactions energy: -94.746
where: short stacking energy: -47.044
Base-Backbone interact. energy: -0.020
local terms energy: -54.923168
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -100.813593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.813593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.813593 (E_RNA)
where:
Base-Base interactions energy: -41.650
where: short stacking energy: -40.411
Base-Backbone interact. energy: -0.206
local terms energy: -58.957159
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -10.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -97.553866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.553866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.553866 (E_RNA)
where:
Base-Base interactions energy: -36.943
where: short stacking energy: -36.495
Base-Backbone interact. energy: -0.034
local terms energy: -60.576927
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -9.681
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: 114
Temperature: 1.250000
Total energy: -85.461226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.461226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.461226 (E_RNA)
where:
Base-Base interactions energy: -34.780
where: short stacking energy: -29.638
Base-Backbone interact. energy: -0.125
local terms energy: -50.556374
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -80.518911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.518911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.518911 (E_RNA)
where:
Base-Base interactions energy: -26.407
where: short stacking energy: -26.869
Base-Backbone interact. energy: 0.647
local terms energy: -54.758490
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -80.339028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.339028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.339028 (E_RNA)
where:
Base-Base interactions energy: -31.523
where: short stacking energy: -31.363
Base-Backbone interact. energy: -0.406
local terms energy: -48.410353
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -6.226
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: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -217.448045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.448045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.448045 (E_RNA)
where:
Base-Base interactions energy: -142.064
where: short stacking energy: -71.924
Base-Backbone interact. energy: -0.290
local terms energy: -75.094701
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -19.153
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: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -213.738995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.738995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.738995 (E_RNA)
where:
Base-Base interactions energy: -137.657
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.060
local terms energy: -76.022398
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -196.443202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.443202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.443202 (E_RNA)
where:
Base-Base interactions energy: -125.557
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.128
local terms energy: -70.758661
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -18.362
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: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -178.675992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.675992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.675992 (E_RNA)
where:
Base-Base interactions energy: -107.337
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.064
local terms energy: -71.275194
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -163.888375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.888375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.888375 (E_RNA)
where:
Base-Base interactions energy: -100.590
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.042
local terms energy: -63.256082
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -108.879808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.879808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.879808 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -49.372
Base-Backbone interact. energy: -0.110
local terms energy: -59.398171
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -91.121084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121084 (E_RNA)
where:
Base-Base interactions energy: -36.341
where: short stacking energy: -35.202
Base-Backbone interact. energy: -0.014
local terms energy: -54.765609
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -4.973
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: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -81.261333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.261333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.261333 (E_RNA)
where:
Base-Base interactions energy: -32.123
where: short stacking energy: -27.278
Base-Backbone interact. energy: 0.615
local terms energy: -49.753222
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -78.777621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.777621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.777621 (E_RNA)
where:
Base-Base interactions energy: -29.134
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.232
local terms energy: -49.411337
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: 0.086
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: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -93.091789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.091789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.091789 (E_RNA)
where:
Base-Base interactions energy: -41.213
where: short stacking energy: -34.625
Base-Backbone interact. energy: -0.209
local terms energy: -51.669659
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -225.053578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.053578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.053578 (E_RNA)
where:
Base-Base interactions energy: -148.633
where: short stacking energy: -74.980
Base-Backbone interact. energy: -0.640
local terms energy: -75.780609
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -10.254
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: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -204.130424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.130424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.130424 (E_RNA)
where:
Base-Base interactions energy: -142.251
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.324
local terms energy: -61.555092
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -192.717702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.717702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.717702 (E_RNA)
where:
Base-Base interactions energy: -129.458
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.112
local terms energy: -63.147821
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -15.529
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: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -173.492502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.492502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.492502 (E_RNA)
where:
Base-Base interactions energy: -110.480
where: short stacking energy: -55.763
Base-Backbone interact. energy: -0.002
local terms energy: -63.009929
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -165.214024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.214024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.214024 (E_RNA)
where:
Base-Base interactions energy: -99.101
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.003
local terms energy: -66.109776
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -12.330
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: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -115.629278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.629278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.629278 (E_RNA)
where:
Base-Base interactions energy: -49.912
where: short stacking energy: -49.313
Base-Backbone interact. energy: -0.090
local terms energy: -65.627505
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -95.753269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.753269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.753269 (E_RNA)
where:
Base-Base interactions energy: -39.378
where: short stacking energy: -38.460
Base-Backbone interact. energy: -0.044
local terms energy: -56.331508
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -9.001
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: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -82.458855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.458855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.458855 (E_RNA)
where:
Base-Base interactions energy: -32.031
where: short stacking energy: -32.031
Base-Backbone interact. energy: -0.075
local terms energy: -50.352671
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -81.286645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.286645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.286645 (E_RNA)
where:
Base-Base interactions energy: -43.849
where: short stacking energy: -18.916
Base-Backbone interact. energy: 0.868
local terms energy: -38.306011
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -75.057081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.057081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.057081 (E_RNA)
where:
Base-Base interactions energy: -25.991
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.366
local terms energy: -48.700554
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -7.996
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -3.794
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: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -216.581724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.581724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.581724 (E_RNA)
where:
Base-Base interactions energy: -141.208
where: short stacking energy: -70.053
Base-Backbone interact. energy: -0.637
local terms energy: -74.736958
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -18.353
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: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -204.876982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.876982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.876982 (E_RNA)
where:
Base-Base interactions energy: -127.984
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.119
local terms energy: -76.774188
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -18.462
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: 117
Temperature: 1.000000
Total energy: -205.110112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.110112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.110112 (E_RNA)
where:
Base-Base interactions energy: -127.383
where: short stacking energy: -65.864
Base-Backbone interact. energy: -0.389
local terms energy: -77.337610
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -171.584055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.584055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.584055 (E_RNA)
where:
Base-Base interactions energy: -102.352
where: short stacking energy: -51.696
Base-Backbone interact. energy: 0.059
local terms energy: -69.290670
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -10.793
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: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -174.532941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.532941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.532941 (E_RNA)
where:
Base-Base interactions energy: -114.411
where: short stacking energy: -66.016
Base-Backbone interact. energy: 2.039
local terms energy: -62.161166
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -100.609188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.609188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.609188 (E_RNA)
where:
Base-Base interactions energy: -45.025
where: short stacking energy: -45.025
Base-Backbone interact. energy: -0.152
local terms energy: -55.432160
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -8.710
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: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -118.879140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.879140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.879140 (E_RNA)
where:
Base-Base interactions energy: -63.742
where: short stacking energy: -36.648
Base-Backbone interact. energy: -0.694
local terms energy: -54.442755
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -8.274
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: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -131.704125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.704125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.704125 (E_RNA)
where:
Base-Base interactions energy: -83.266
where: short stacking energy: -42.448
Base-Backbone interact. energy: -0.099
local terms energy: -48.339370
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -82.185785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.185785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.185785 (E_RNA)
where:
Base-Base interactions energy: -30.879
where: short stacking energy: -29.944
Base-Backbone interact. energy: -2.242
local terms energy: -49.064578
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -79.838760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.838760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.838760 (E_RNA)
where:
Base-Base interactions energy: -29.936
where: short stacking energy: -27.515
Base-Backbone interact. energy: -0.158
local terms energy: -49.745034
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -3.389
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: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -215.907427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.907427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.907427 (E_RNA)
where:
Base-Base interactions energy: -137.069
where: short stacking energy: -74.743
Base-Backbone interact. energy: -0.002
local terms energy: -78.835701
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -20.477
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: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -199.425088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.425088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.425088 (E_RNA)
where:
Base-Base interactions energy: -131.490
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.011
local terms energy: -67.923589
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -202.861992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.861992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.861992 (E_RNA)
where:
Base-Base interactions energy: -133.675
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.118
local terms energy: -69.068737
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -16.636
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: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -187.959413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959413 (E_RNA)
where:
Base-Base interactions energy: -110.102
where: short stacking energy: -65.188
Base-Backbone interact. energy: -0.283
local terms energy: -77.573934
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -10.790
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: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -113.184448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.184448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.184448 (E_RNA)
where:
Base-Base interactions energy: -48.961
where: short stacking energy: -48.961
Base-Backbone interact. energy: -0.002
local terms energy: -64.221715
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -10.501
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: 118
Temperature: 1.150000
Total energy: -177.883310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.883310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.883310 (E_RNA)
where:
Base-Base interactions energy: -112.819
where: short stacking energy: -62.689
Base-Backbone interact. energy: -0.569
local terms energy: -64.495532
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -3.530
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: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -141.292855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.292855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.292855 (E_RNA)
where:
Base-Base interactions energy: -78.236
where: short stacking energy: -40.541
Base-Backbone interact. energy: -0.722
local terms energy: -62.334494
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -121.177543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.177543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.177543 (E_RNA)
where:
Base-Base interactions energy: -60.454
where: short stacking energy: -24.942
Base-Backbone interact. energy: -1.132
local terms energy: -59.591226
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -72.191779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.191779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.191779 (E_RNA)
where:
Base-Base interactions energy: -28.452
where: short stacking energy: -28.452
Base-Backbone interact. energy: -0.147
local terms energy: -43.593556
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: 1.120
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: 118
Temperature: 1.350000
Total energy: -69.646920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.646920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.646920 (E_RNA)
where:
Base-Base interactions energy: -31.040
where: short stacking energy: -31.040
Base-Backbone interact. energy: -0.321
local terms energy: -38.286498
where:
bonds (distance) C4'-P energy: -5.623
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -223.027674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.027674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.027674 (E_RNA)
where:
Base-Base interactions energy: -139.871
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.022
local terms energy: -83.135012
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -211.342568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.342568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.342568 (E_RNA)
where:
Base-Base interactions energy: -135.795
where: short stacking energy: -69.420
Base-Backbone interact. energy: -0.722
local terms energy: -74.825405
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -190.959416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.959416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.959416 (E_RNA)
where:
Base-Base interactions energy: -124.726
where: short stacking energy: -57.043
Base-Backbone interact. energy: -0.531
local terms energy: -65.702814
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -11.974
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: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -166.869345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.869345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.869345 (E_RNA)
where:
Base-Base interactions energy: -103.961
where: short stacking energy: -60.146
Base-Backbone interact. energy: -0.112
local terms energy: -62.796220
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -15.339
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: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -107.187701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.187701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.187701 (E_RNA)
where:
Base-Base interactions energy: -50.935
where: short stacking energy: -38.880
Base-Backbone interact. energy: 0.259
local terms energy: -56.512225
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -165.254456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.254456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.254456 (E_RNA)
where:
Base-Base interactions energy: -105.841
where: short stacking energy: -47.533
Base-Backbone interact. energy: -0.284
local terms energy: -59.129328
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -8.706
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: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -154.898198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.898198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.898198 (E_RNA)
where:
Base-Base interactions energy: -99.300
where: short stacking energy: -51.078
Base-Backbone interact. energy: -0.307
local terms energy: -55.290710
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -9.199
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -11.391
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: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -92.403556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.403556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.403556 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -34.609
Base-Backbone interact. energy: -0.108
local terms energy: -54.735611
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -7.708
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -123.917684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.917684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.917684 (E_RNA)
where:
Base-Base interactions energy: -64.096
where: short stacking energy: -33.314
Base-Backbone interact. energy: -0.003
local terms energy: -59.818885
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -89.293863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.293863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.293863 (E_RNA)
where:
Base-Base interactions energy: -42.782
where: short stacking energy: -37.362
Base-Backbone interact. energy: -0.142
local terms energy: -46.369608
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -2.966
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -5.725
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: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -212.742145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.742145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.742145 (E_RNA)
where:
Base-Base interactions energy: -138.695
where: short stacking energy: -69.459
Base-Backbone interact. energy: -0.127
local terms energy: -73.919746
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -22.984
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: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -211.959024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.959024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.959024 (E_RNA)
where:
Base-Base interactions energy: -132.016
where: short stacking energy: -66.741
Base-Backbone interact. energy: -0.353
local terms energy: -79.589830
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -195.487265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.487265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.487265 (E_RNA)
where:
Base-Base interactions energy: -120.381
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.047
local terms energy: -75.059682
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -167.561247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.561247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.561247 (E_RNA)
where:
Base-Base interactions energy: -99.631
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.023
local terms energy: -67.907632
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -193.334330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.334330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.334330 (E_RNA)
where:
Base-Base interactions energy: -120.867
where: short stacking energy: -56.884
Base-Backbone interact. energy: -0.042
local terms energy: -72.425583
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -97.874265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.874265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.874265 (E_RNA)
where:
Base-Base interactions energy: -43.550
where: short stacking energy: -43.550
Base-Backbone interact. energy: 1.767
local terms energy: -56.091235
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -138.434116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.434116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.434116 (E_RNA)
where:
Base-Base interactions energy: -84.957
where: short stacking energy: -42.063
Base-Backbone interact. energy: -0.168
local terms energy: -53.310012
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -7.290
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: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -75.559638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.559638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.559638 (E_RNA)
where:
Base-Base interactions energy: -27.002
where: short stacking energy: -24.971
Base-Backbone interact. energy: -0.470
local terms energy: -48.088039
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -102.597456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.597456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.597456 (E_RNA)
where:
Base-Base interactions energy: -54.159
where: short stacking energy: -31.421
Base-Backbone interact. energy: -0.470
local terms energy: -47.968294
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -88.373668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373668 (E_RNA)
where:
Base-Base interactions energy: -36.886
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.169
local terms energy: -51.319082
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -6.276
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: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -214.742212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.742212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.742212 (E_RNA)
where:
Base-Base interactions energy: -136.228
where: short stacking energy: -71.111
Base-Backbone interact. energy: -0.211
local terms energy: -78.303092
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -20.983
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: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -197.471970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.471970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.471970 (E_RNA)
where:
Base-Base interactions energy: -125.881
where: short stacking energy: -61.606
Base-Backbone interact. energy: -0.033
local terms energy: -71.558181
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -203.555958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.555958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.555958 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -67.246
Base-Backbone interact. energy: -0.236
local terms energy: -74.761441
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -184.945576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.945576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.945576 (E_RNA)
where:
Base-Base interactions energy: -118.754
where: short stacking energy: -63.532
Base-Backbone interact. energy: -0.061
local terms energy: -66.130210
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -14.733
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: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -169.271993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.271993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.271993 (E_RNA)
where:
Base-Base interactions energy: -99.064
where: short stacking energy: -55.088
Base-Backbone interact. energy: -0.005
local terms energy: -70.202661
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -15.354
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: 121
Temperature: 1.150000
Total energy: -149.983958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.983958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.983958 (E_RNA)
where:
Base-Base interactions energy: -89.546
where: short stacking energy: -46.926
Base-Backbone interact. energy: -0.011
local terms energy: -60.426887
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -6.233
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: 121
Temperature: 1.200000
Total energy: -88.250700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.250700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.250700 (E_RNA)
where:
Base-Base interactions energy: -39.196
where: short stacking energy: -39.996
Base-Backbone interact. energy: -0.090
local terms energy: -48.964437
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -7.253
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: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -86.002974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.002974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.002974 (E_RNA)
where:
Base-Base interactions energy: -39.880
where: short stacking energy: -33.752
Base-Backbone interact. energy: -0.088
local terms energy: -46.034980
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -93.778347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.778347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.778347 (E_RNA)
where:
Base-Base interactions energy: -42.827
where: short stacking energy: -42.812
Base-Backbone interact. energy: 0.563
local terms energy: -51.513595
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -8.897
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: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -96.148108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.148108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.148108 (E_RNA)
where:
Base-Base interactions energy: -54.165
where: short stacking energy: -29.880
Base-Backbone interact. energy: -0.236
local terms energy: -41.746925
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -221.726457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.726457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.726457 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -71.261
Base-Backbone interact. energy: -0.169
local terms energy: -82.009622
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -23.351
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: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -203.880577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.880577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.880577 (E_RNA)
where:
Base-Base interactions energy: -122.353
where: short stacking energy: -61.591
Base-Backbone interact. energy: -0.076
local terms energy: -81.451846
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -193.457288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457288 (E_RNA)
where:
Base-Base interactions energy: -124.929
where: short stacking energy: -62.761
Base-Backbone interact. energy: -0.805
local terms energy: -67.722922
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -191.401281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.401281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.401281 (E_RNA)
where:
Base-Base interactions energy: -123.235
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.718
local terms energy: -67.448598
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -161.717681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.717681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.717681 (E_RNA)
where:
Base-Base interactions energy: -97.334
where: short stacking energy: -47.656
Base-Backbone interact. energy: 0.941
local terms energy: -65.324088
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -9.534
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: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -154.833993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.833993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.833993 (E_RNA)
where:
Base-Base interactions energy: -95.577
where: short stacking energy: -45.609
Base-Backbone interact. energy: -0.111
local terms energy: -59.145204
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -10.753
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: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -79.086699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.086699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.086699 (E_RNA)
where:
Base-Base interactions energy: -26.358
where: short stacking energy: -24.341
Base-Backbone interact. energy: -1.639
local terms energy: -51.089147
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -77.942331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.942331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.942331 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -28.571
Base-Backbone interact. energy: -0.225
local terms energy: -48.807120
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -0.504
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: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -110.115481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.115481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.115481 (E_RNA)
where:
Base-Base interactions energy: -52.661
where: short stacking energy: -26.064
Base-Backbone interact. energy: -0.209
local terms energy: -57.244974
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -79.353872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.353872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.353872 (E_RNA)
where:
Base-Base interactions energy: -28.726
where: short stacking energy: -26.919
Base-Backbone interact. energy: -0.221
local terms energy: -50.407633
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: 4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -213.513952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.513952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.513952 (E_RNA)
where:
Base-Base interactions energy: -134.556
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.056
local terms energy: -78.901853
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -199.773372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.773372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.773372 (E_RNA)
where:
Base-Base interactions energy: -130.325
where: short stacking energy: -60.912
Base-Backbone interact. energy: 0.264
local terms energy: -69.712727
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -19.783
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: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -205.261685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261685 (E_RNA)
where:
Base-Base interactions energy: -129.000
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.144
local terms energy: -76.117789
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -20.304
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: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -186.536894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.536894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.536894 (E_RNA)
where:
Base-Base interactions energy: -114.381
where: short stacking energy: -61.313
Base-Backbone interact. energy: -0.044
local terms energy: -72.110947
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -156.082738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.082738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.082738 (E_RNA)
where:
Base-Base interactions energy: -96.011
where: short stacking energy: -47.896
Base-Backbone interact. energy: -0.360
local terms energy: -59.712371
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -9.448
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: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -172.434988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.434988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.434988 (E_RNA)
where:
Base-Base interactions energy: -100.114
where: short stacking energy: -50.212
Base-Backbone interact. energy: -0.618
local terms energy: -71.703057
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -90.614791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.614791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.614791 (E_RNA)
where:
Base-Base interactions energy: -27.069
where: short stacking energy: -26.590
Base-Backbone interact. energy: -0.147
local terms energy: -63.398694
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -90.325209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325209 (E_RNA)
where:
Base-Base interactions energy: -30.798
where: short stacking energy: -29.733
Base-Backbone interact. energy: -0.161
local terms energy: -59.365890
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -76.341146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.341146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.341146 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.389
local terms energy: -42.853768
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -1.547
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -82.268029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.268029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.268029 (E_RNA)
where:
Base-Base interactions energy: -31.748
where: short stacking energy: -17.872
Base-Backbone interact. energy: -0.088
local terms energy: -50.432217
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: 0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -203.584322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584322 (E_RNA)
where:
Base-Base interactions energy: -132.349
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.102
local terms energy: -71.133422
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -215.011536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.011536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.011536 (E_RNA)
where:
Base-Base interactions energy: -135.218
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.216
local terms energy: -79.578039
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -206.456689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.456689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.456689 (E_RNA)
where:
Base-Base interactions energy: -131.198
where: short stacking energy: -67.074
Base-Backbone interact. energy: -0.057
local terms energy: -75.201645
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -18.656
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: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -192.480582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.480582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.480582 (E_RNA)
where:
Base-Base interactions energy: -122.983
where: short stacking energy: -65.330
Base-Backbone interact. energy: 0.653
local terms energy: -70.150634
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -17.566
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: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -160.763715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.763715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.763715 (E_RNA)
where:
Base-Base interactions energy: -98.088
where: short stacking energy: -47.068
Base-Backbone interact. energy: -0.008
local terms energy: -62.667859
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -168.011063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.011063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.011063 (E_RNA)
where:
Base-Base interactions energy: -102.676
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.105
local terms energy: -65.230148
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -88.553630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.553630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.553630 (E_RNA)
where:
Base-Base interactions energy: -29.840
where: short stacking energy: -29.840
Base-Backbone interact. energy: -0.022
local terms energy: -58.691812
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -80.148172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.148172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.148172 (E_RNA)
where:
Base-Base interactions energy: -22.779
where: short stacking energy: -17.611
Base-Backbone interact. energy: -0.141
local terms energy: -57.228287
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -1.010
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: 2
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -81.377231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.377231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.377231 (E_RNA)
where:
Base-Base interactions energy: -36.348
where: short stacking energy: -21.306
Base-Backbone interact. energy: -0.107
local terms energy: -44.922138
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -8.581
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -74.983949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.983949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.983949 (E_RNA)
where:
Base-Base interactions energy: -30.227
where: short stacking energy: -30.227
Base-Backbone interact. energy: -0.115
local terms energy: -44.641962
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -203.114849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.114849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.114849 (E_RNA)
where:
Base-Base interactions energy: -133.850
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.843
local terms energy: -68.422184
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -8.410
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: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -206.077120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.077120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.077120 (E_RNA)
where:
Base-Base interactions energy: -131.223
where: short stacking energy: -61.900
Base-Backbone interact. energy: -0.085
local terms energy: -74.768240
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -17.855
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: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -197.103142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.103142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.103142 (E_RNA)
where:
Base-Base interactions energy: -124.669
where: short stacking energy: -60.426
Base-Backbone interact. energy: -0.093
local terms energy: -72.341113
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -16.939
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: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -198.564071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.564071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.564071 (E_RNA)
where:
Base-Base interactions energy: -125.817
where: short stacking energy: -67.460
Base-Backbone interact. energy: -0.009
local terms energy: -72.738584
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -17.757
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: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -165.615235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.615235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.615235 (E_RNA)
where:
Base-Base interactions energy: -99.235
where: short stacking energy: -50.128
Base-Backbone interact. energy: -1.868
local terms energy: -64.512661
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -11.733
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: 125
Temperature: 1.150000
Total energy: -166.522589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.522589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.522589 (E_RNA)
where:
Base-Base interactions energy: -99.880
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.182
local terms energy: -66.460102
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -81.540165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.540165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.540165 (E_RNA)
where:
Base-Base interactions energy: -32.204
where: short stacking energy: -21.312
Base-Backbone interact. energy: 0.601
local terms energy: -49.937455
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: 4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -77.870607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.870607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.870607 (E_RNA)
where:
Base-Base interactions energy: -28.759
where: short stacking energy: -28.009
Base-Backbone interact. energy: -0.143
local terms energy: -48.969184
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -2.931
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: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -86.065597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.065597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.065597 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -18.788
Base-Backbone interact. energy: -0.019
local terms energy: -46.370011
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: 1.082
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -73.136636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.136636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.136636 (E_RNA)
where:
Base-Base interactions energy: -22.207
where: short stacking energy: -20.704
Base-Backbone interact. energy: -0.304
local terms energy: -50.625431
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -215.049381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.049381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.049381 (E_RNA)
where:
Base-Base interactions energy: -135.529
where: short stacking energy: -61.387
Base-Backbone interact. energy: -0.005
local terms energy: -79.514936
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -18.791
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: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -192.361593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.361593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.361593 (E_RNA)
where:
Base-Base interactions energy: -123.310
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.014
local terms energy: -69.037521
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -201.510325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.510325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.510325 (E_RNA)
where:
Base-Base interactions energy: -122.778
where: short stacking energy: -64.700
Base-Backbone interact. energy: -0.090
local terms energy: -78.642516
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -203.664275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.664275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.664275 (E_RNA)
where:
Base-Base interactions energy: -124.229
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.997
local terms energy: -78.438569
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -167.524300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.524300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.524300 (E_RNA)
where:
Base-Base interactions energy: -91.977
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.878
local terms energy: -74.669048
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -158.838121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.838121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.838121 (E_RNA)
where:
Base-Base interactions energy: -94.042
where: short stacking energy: -52.275
Base-Backbone interact. energy: -0.828
local terms energy: -63.968553
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -13.136
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: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -101.795012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.795012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.795012 (E_RNA)
where:
Base-Base interactions energy: -58.828
where: short stacking energy: -38.609
Base-Backbone interact. energy: -0.303
local terms energy: -42.664389
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -2.447
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -93.717972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.717972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.717972 (E_RNA)
where:
Base-Base interactions energy: -37.753
where: short stacking energy: -32.759
Base-Backbone interact. energy: -0.020
local terms energy: -55.944605
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -3.593
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: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -81.048839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.048839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.048839 (E_RNA)
where:
Base-Base interactions energy: -33.544
where: short stacking energy: -33.544
Base-Backbone interact. energy: -0.080
local terms energy: -47.424544
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -126.286656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.286656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.286656 (E_RNA)
where:
Base-Base interactions energy: -75.803
where: short stacking energy: -30.023
Base-Backbone interact. energy: -0.748
local terms energy: -49.736390
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -215.445872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.445872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.445872 (E_RNA)
where:
Base-Base interactions energy: -131.856
where: short stacking energy: -64.523
Base-Backbone interact. energy: -0.038
local terms energy: -83.552260
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -207.276112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.276112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.276112 (E_RNA)
where:
Base-Base interactions energy: -142.721
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.619
local terms energy: -63.936180
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -200.722169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.722169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.722169 (E_RNA)
where:
Base-Base interactions energy: -125.578
where: short stacking energy: -65.699
Base-Backbone interact. energy: -0.245
local terms energy: -74.898908
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -195.398066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.398066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.398066 (E_RNA)
where:
Base-Base interactions energy: -124.533
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.115
local terms energy: -70.749725
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -178.591032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.591032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.591032 (E_RNA)
where:
Base-Base interactions energy: -112.704
where: short stacking energy: -64.654
Base-Backbone interact. energy: -0.298
local terms energy: -65.589097
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -157.172137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.172137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.172137 (E_RNA)
where:
Base-Base interactions energy: -91.929
where: short stacking energy: -50.778
Base-Backbone interact. energy: -0.296
local terms energy: -64.946411
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -91.585692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.585692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.585692 (E_RNA)
where:
Base-Base interactions energy: -35.041
where: short stacking energy: -33.392
Base-Backbone interact. energy: -0.158
local terms energy: -56.386763
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -99.650982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.650982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.650982 (E_RNA)
where:
Base-Base interactions energy: -39.851
where: short stacking energy: -39.851
Base-Backbone interact. energy: -0.004
local terms energy: -59.796738
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -7.901
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: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -81.031297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.031297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.031297 (E_RNA)
where:
Base-Base interactions energy: -33.404
where: short stacking energy: -33.404
Base-Backbone interact. energy: -0.016
local terms energy: -47.611131
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -4.356
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: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -111.941449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.941449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.941449 (E_RNA)
where:
Base-Base interactions energy: -62.108
where: short stacking energy: -35.201
Base-Backbone interact. energy: 1.255
local terms energy: -51.087764
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -2.529
tors. eta vs tors. theta energy: -5.045
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: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -209.921171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.921171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.921171 (E_RNA)
where:
Base-Base interactions energy: -132.091
where: short stacking energy: -67.132
Base-Backbone interact. energy: -0.024
local terms energy: -77.805570
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -18.934
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: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -205.425963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.425963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.425963 (E_RNA)
where:
Base-Base interactions energy: -133.612
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.085
local terms energy: -71.729609
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -207.342240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.342240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.342240 (E_RNA)
where:
Base-Base interactions energy: -134.346
where: short stacking energy: -70.644
Base-Backbone interact. energy: -0.370
local terms energy: -72.626021
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -210.056318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.056318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.056318 (E_RNA)
where:
Base-Base interactions energy: -132.234
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.087
local terms energy: -77.735493
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -22.215
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: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -165.613151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.613151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.613151 (E_RNA)
where:
Base-Base interactions energy: -100.413
where: short stacking energy: -45.698
Base-Backbone interact. energy: -0.064
local terms energy: -65.136918
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -167.388834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.388834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.388834 (E_RNA)
where:
Base-Base interactions energy: -94.808
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.043
local terms energy: -72.537817
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -122.317429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.317429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.317429 (E_RNA)
where:
Base-Base interactions energy: -66.257
where: short stacking energy: -44.237
Base-Backbone interact. energy: -0.136
local terms energy: -55.923838
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -8.689
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: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -80.701351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.701351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.701351 (E_RNA)
where:
Base-Base interactions energy: -31.045
where: short stacking energy: -28.339
Base-Backbone interact. energy: 1.679
local terms energy: -51.334939
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -4.959
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: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -80.262618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.262618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.262618 (E_RNA)
where:
Base-Base interactions energy: -29.684
where: short stacking energy: -19.267
Base-Backbone interact. energy: -0.222
local terms energy: -50.355749
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -73.580879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.580879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.580879 (E_RNA)
where:
Base-Base interactions energy: -23.557
where: short stacking energy: -23.557
Base-Backbone interact. energy: -0.016
local terms energy: -50.008345
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -208.541115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.541115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.541115 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -65.449
Base-Backbone interact. energy: 0.412
local terms energy: -70.796231
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -205.286667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.286667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.286667 (E_RNA)
where:
Base-Base interactions energy: -128.781
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.018
local terms energy: -76.487676
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -17.266
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: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -194.993196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.993196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.993196 (E_RNA)
where:
Base-Base interactions energy: -122.276
where: short stacking energy: -57.303
Base-Backbone interact. energy: -0.754
local terms energy: -71.963681
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -11.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -197.499491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.499491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.499491 (E_RNA)
where:
Base-Base interactions energy: -126.978
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.025
local terms energy: -70.495796
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -19.046
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: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -179.390507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.390507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.390507 (E_RNA)
where:
Base-Base interactions energy: -110.619
where: short stacking energy: -58.190
Base-Backbone interact. energy: -0.030
local terms energy: -68.741394
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -17.516
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: 129
Temperature: 1.150000
Total energy: -173.425695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.425695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.425695 (E_RNA)
where:
Base-Base interactions energy: -104.358
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.163
local terms energy: -68.904745
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -13.238
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: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -130.876263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.876263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.876263 (E_RNA)
where:
Base-Base interactions energy: -75.695
where: short stacking energy: -31.665
Base-Backbone interact. energy: -0.295
local terms energy: -54.886105
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -90.048378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.048378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.048378 (E_RNA)
where:
Base-Base interactions energy: -45.191
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.040
local terms energy: -44.817544
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -3.267
tors. eta vs tors. theta energy: -5.033
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: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -87.437984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.437984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.437984 (E_RNA)
where:
Base-Base interactions energy: -35.958
where: short stacking energy: -19.449
Base-Backbone interact. energy: 0.018
local terms energy: -51.497605
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -3.374
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: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -82.439705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.439705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.439705 (E_RNA)
where:
Base-Base interactions energy: -30.739
where: short stacking energy: -29.883
Base-Backbone interact. energy: -0.250
local terms energy: -51.450871
where:
bonds (distance) C4'-P energy: -7.591
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -210.755312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.755312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.755312 (E_RNA)
where:
Base-Base interactions energy: -138.400
where: short stacking energy: -73.657
Base-Backbone interact. energy: -0.001
local terms energy: -72.354163
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -210.591521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.591521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.591521 (E_RNA)
where:
Base-Base interactions energy: -134.877
where: short stacking energy: -62.254
Base-Backbone interact. energy: -0.058
local terms energy: -75.656205
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -8.144
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: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -202.384100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.384100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.384100 (E_RNA)
where:
Base-Base interactions energy: -127.281
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.153
local terms energy: -74.949634
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -184.788444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.788444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.788444 (E_RNA)
where:
Base-Base interactions energy: -118.723
where: short stacking energy: -55.601
Base-Backbone interact. energy: -0.121
local terms energy: -65.944682
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -13.110
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: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -171.980307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.980307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.980307 (E_RNA)
where:
Base-Base interactions energy: -102.712
where: short stacking energy: -61.036
Base-Backbone interact. energy: -0.001
local terms energy: -69.267349
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -15.473
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: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -168.923463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.923463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.923463 (E_RNA)
where:
Base-Base interactions energy: -98.845
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.028
local terms energy: -70.050660
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -18.219
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: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -106.591486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.591486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.591486 (E_RNA)
where:
Base-Base interactions energy: -49.398
where: short stacking energy: -29.532
Base-Backbone interact. energy: -0.134
local terms energy: -57.059952
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -180.931435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.931435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.931435 (E_RNA)
where:
Base-Base interactions energy: -114.993
where: short stacking energy: -66.232
Base-Backbone interact. energy: -0.001
local terms energy: -65.937870
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -81.460239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.460239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.460239 (E_RNA)
where:
Base-Base interactions energy: -30.537
where: short stacking energy: -29.568
Base-Backbone interact. energy: -0.096
local terms energy: -50.826969
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -1.194
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: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -77.617116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.617116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.617116 (E_RNA)
where:
Base-Base interactions energy: -30.216
where: short stacking energy: -19.305
Base-Backbone interact. energy: -0.176
local terms energy: -47.225494
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -1.072
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: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -214.024262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.024262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.024262 (E_RNA)
where:
Base-Base interactions energy: -134.003
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.429
local terms energy: -79.592633
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -22.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -201.925830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.925830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.925830 (E_RNA)
where:
Base-Base interactions energy: -131.572
where: short stacking energy: -70.546
Base-Backbone interact. energy: -0.001
local terms energy: -70.352932
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -20.497
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: 131
Temperature: 1.000000
Total energy: -211.294763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.294763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.294763 (E_RNA)
where:
Base-Base interactions energy: -137.390
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.027
local terms energy: -73.878125
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -198.496153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.496153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.496153 (E_RNA)
where:
Base-Base interactions energy: -129.299
where: short stacking energy: -60.846
Base-Backbone interact. energy: -0.136
local terms energy: -69.061416
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -170.909899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.909899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.909899 (E_RNA)
where:
Base-Base interactions energy: -104.957
where: short stacking energy: -55.613
Base-Backbone interact. energy: -0.616
local terms energy: -65.336787
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -13.259
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: 131
Temperature: 1.150000
Total energy: -149.310552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.310552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.310552 (E_RNA)
where:
Base-Base interactions energy: -87.715
where: short stacking energy: -47.838
Base-Backbone interact. energy: -0.389
local terms energy: -61.206404
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -86.061055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.061055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.061055 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -31.229
Base-Backbone interact. energy: 1.334
local terms energy: -52.867048
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -182.625556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.625556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.625556 (E_RNA)
where:
Base-Base interactions energy: -115.596
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.218
local terms energy: -66.810755
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -86.958898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.958898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.958898 (E_RNA)
where:
Base-Base interactions energy: -30.628
where: short stacking energy: -30.628
Base-Backbone interact. energy: -0.615
local terms energy: -55.715904
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -8.754
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: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -78.371203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.371203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.371203 (E_RNA)
where:
Base-Base interactions energy: -21.922
where: short stacking energy: -19.645
Base-Backbone interact. energy: -0.992
local terms energy: -55.456873
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -216.128905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.128905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.128905 (E_RNA)
where:
Base-Base interactions energy: -134.144
where: short stacking energy: -76.461
Base-Backbone interact. energy: -2.072
local terms energy: -79.913315
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -216.824686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.824686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.824686 (E_RNA)
where:
Base-Base interactions energy: -136.056
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.010
local terms energy: -80.758895
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -23.853
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: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -199.827825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.827825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.827825 (E_RNA)
where:
Base-Base interactions energy: -126.833
where: short stacking energy: -59.241
Base-Backbone interact. energy: 0.526
local terms energy: -73.520808
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -17.774
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: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -205.273971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.273971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.273971 (E_RNA)
where:
Base-Base interactions energy: -133.700
where: short stacking energy: -63.673
Base-Backbone interact. energy: 0.089
local terms energy: -71.662787
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -163.683586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.683586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.683586 (E_RNA)
where:
Base-Base interactions energy: -91.863
where: short stacking energy: -54.268
Base-Backbone interact. energy: -0.017
local terms energy: -71.803315
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -151.231373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.231373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.231373 (E_RNA)
where:
Base-Base interactions energy: -90.214
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.211
local terms energy: -60.806906
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -173.301765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.301765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.301765 (E_RNA)
where:
Base-Base interactions energy: -110.123
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.616
local terms energy: -62.562852
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -85.431669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.431669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.431669 (E_RNA)
where:
Base-Base interactions energy: -32.203
where: short stacking energy: -25.709
Base-Backbone interact. energy: -2.395
local terms energy: -50.833554
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -77.425545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.425545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.425545 (E_RNA)
where:
Base-Base interactions energy: -33.477
where: short stacking energy: -16.759
Base-Backbone interact. energy: -1.382
local terms energy: -42.566291
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -1.457
tors. eta vs tors. theta energy: -4.393
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: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -84.819159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.819159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.819159 (E_RNA)
where:
Base-Base interactions energy: -34.695
where: short stacking energy: -31.301
Base-Backbone interact. energy: -0.040
local terms energy: -50.083931
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -220.170683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.170683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.170683 (E_RNA)
where:
Base-Base interactions energy: -142.246
where: short stacking energy: -75.169
Base-Backbone interact. energy: -0.302
local terms energy: -77.622738
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -217.552866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.552866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.552866 (E_RNA)
where:
Base-Base interactions energy: -139.490
where: short stacking energy: -71.314
Base-Backbone interact. energy: 0.177
local terms energy: -78.239359
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -205.671563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.671563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.671563 (E_RNA)
where:
Base-Base interactions energy: -126.758
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.919
local terms energy: -77.994605
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -19.418
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: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -192.818407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.818407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.818407 (E_RNA)
where:
Base-Base interactions energy: -132.277
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.003
local terms energy: -60.537942
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -16.566
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: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -158.368398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.368398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.368398 (E_RNA)
where:
Base-Base interactions energy: -95.893
where: short stacking energy: -44.093
Base-Backbone interact. energy: -0.119
local terms energy: -62.355984
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -9.618
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: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -169.585823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.585823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.585823 (E_RNA)
where:
Base-Base interactions energy: -104.349
where: short stacking energy: -59.151
Base-Backbone interact. energy: -0.303
local terms energy: -64.933700
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -8.442
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: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -147.018236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.018236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.018236 (E_RNA)
where:
Base-Base interactions energy: -84.401
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.176
local terms energy: -62.440700
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -6.827
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: 133
Temperature: 1.250000
Total energy: -90.950868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.950868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.950868 (E_RNA)
where:
Base-Base interactions energy: -34.922
where: short stacking energy: -30.585
Base-Backbone interact. energy: -0.281
local terms energy: -55.747547
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -1.379
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: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -89.797686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.797686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.797686 (E_RNA)
where:
Base-Base interactions energy: -34.843
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.223
local terms energy: -54.731822
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -2.498
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: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -75.645745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.645745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.645745 (E_RNA)
where:
Base-Base interactions energy: -26.046
where: short stacking energy: -23.956
Base-Backbone interact. energy: -0.156
local terms energy: -49.444126
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: 6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -212.033246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.033246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.033246 (E_RNA)
where:
Base-Base interactions energy: -132.448
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.001
local terms energy: -79.584693
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -20.652
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: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -211.452289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.452289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.452289 (E_RNA)
where:
Base-Base interactions energy: -131.882
where: short stacking energy: -69.941
Base-Backbone interact. energy: -0.001
local terms energy: -79.569678
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -11.511
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: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -203.626445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.626445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.626445 (E_RNA)
where:
Base-Base interactions energy: -129.592
where: short stacking energy: -64.060
Base-Backbone interact. energy: -0.009
local terms energy: -74.025101
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -180.539437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.539437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.539437 (E_RNA)
where:
Base-Base interactions energy: -112.640
where: short stacking energy: -52.065
Base-Backbone interact. energy: -0.451
local terms energy: -67.448317
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -11.378
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: 134
Temperature: 1.100000
Total energy: -162.392400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.392400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.392400 (E_RNA)
where:
Base-Base interactions energy: -101.522
where: short stacking energy: -54.094
Base-Backbone interact. energy: 1.258
local terms energy: -62.128559
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -171.028733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.028733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.028733 (E_RNA)
where:
Base-Base interactions energy: -108.677
where: short stacking energy: -61.334
Base-Backbone interact. energy: 0.538
local terms energy: -62.890124
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -89.662343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.662343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.662343 (E_RNA)
where:
Base-Base interactions energy: -43.929
where: short stacking energy: -37.832
Base-Backbone interact. energy: 0.479
local terms energy: -46.212784
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -135.622057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.622057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.622057 (E_RNA)
where:
Base-Base interactions energy: -81.348
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.061
local terms energy: -54.213214
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -85.229527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.229527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.229527 (E_RNA)
where:
Base-Base interactions energy: -28.702
where: short stacking energy: -25.731
Base-Backbone interact. energy: -0.018
local terms energy: -56.509849
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -4.121
tors. eta vs tors. theta energy: -6.735
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: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -75.914671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.914671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.914671 (E_RNA)
where:
Base-Base interactions energy: -35.694
where: short stacking energy: -33.984
Base-Backbone interact. energy: -0.135
local terms energy: -40.086028
where:
bonds (distance) C4'-P energy: -2.220
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -218.423394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.423394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.423394 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -75.970
Base-Backbone interact. energy: -0.009
local terms energy: -74.717888
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -8.053
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: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -201.504911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.504911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.504911 (E_RNA)
where:
Base-Base interactions energy: -129.374
where: short stacking energy: -66.168
Base-Backbone interact. energy: -0.756
local terms energy: -71.375498
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -200.046563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.046563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.046563 (E_RNA)
where:
Base-Base interactions energy: -129.170
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.486
local terms energy: -70.390720
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -190.155238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.155238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.155238 (E_RNA)
where:
Base-Base interactions energy: -116.855
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.046
local terms energy: -73.253817
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -191.620995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.620995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.620995 (E_RNA)
where:
Base-Base interactions energy: -131.297
where: short stacking energy: -68.658
Base-Backbone interact. energy: -0.068
local terms energy: -60.256351
where:
bonds (distance) C4'-P energy: -8.093
bonds (distance) P-C4' energy: -8.701
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -147.586027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.586027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.586027 (E_RNA)
where:
Base-Base interactions energy: -91.703
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.000
local terms energy: -55.882858
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -87.281369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.281369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.281369 (E_RNA)
where:
Base-Base interactions energy: -31.501
where: short stacking energy: -20.892
Base-Backbone interact. energy: -0.583
local terms energy: -55.197351
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -0.647
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: 135
Temperature: 1.250000
Total energy: -129.614467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.614467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.614467 (E_RNA)
where:
Base-Base interactions energy: -71.397
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.817
local terms energy: -57.399586
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -7.858
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: 9, replica: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -99.562926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.562926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.562926 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -40.787
Base-Backbone interact. energy: 0.176
local terms energy: -58.951580
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -10.833
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -102.457010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.457010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.457010 (E_RNA)
where:
Base-Base interactions energy: -54.389
where: short stacking energy: -35.134
Base-Backbone interact. energy: -0.227
local terms energy: -47.840945
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -2.877
tors. eta vs tors. theta energy: -3.982
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: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -216.656402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.656402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.656402 (E_RNA)
where:
Base-Base interactions energy: -135.954
where: short stacking energy: -71.249
Base-Backbone interact. energy: -0.007
local terms energy: -80.695624
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -203.929125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.929125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.929125 (E_RNA)
where:
Base-Base interactions energy: -136.392
where: short stacking energy: -59.727
Base-Backbone interact. energy: -0.115
local terms energy: -67.421591
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.398
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: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -190.718421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.718421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.718421 (E_RNA)
where:
Base-Base interactions energy: -117.295
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.155
local terms energy: -73.268816
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -186.105743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.105743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.105743 (E_RNA)
where:
Base-Base interactions energy: -126.522
where: short stacking energy: -60.538
Base-Backbone interact. energy: -0.122
local terms energy: -59.461644
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -8.434
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -11.626
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: 136
Temperature: 1.100000
Total energy: -189.775513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.775513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.775513 (E_RNA)
where:
Base-Base interactions energy: -114.299
where: short stacking energy: -62.596
Base-Backbone interact. energy: -0.789
local terms energy: -74.687016
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -157.842223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.842223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.842223 (E_RNA)
where:
Base-Base interactions energy: -101.067
where: short stacking energy: -53.885
Base-Backbone interact. energy: 1.262
local terms energy: -58.037265
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -10.376
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: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -153.755088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.755088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.755088 (E_RNA)
where:
Base-Base interactions energy: -88.099
where: short stacking energy: -43.227
Base-Backbone interact. energy: -0.062
local terms energy: -65.594095
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -89.440335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.440335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.440335 (E_RNA)
where:
Base-Base interactions energy: -45.472
where: short stacking energy: -13.795
Base-Backbone interact. energy: -0.804
local terms energy: -43.164942
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -4.478
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -87.873479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.873479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.873479 (E_RNA)
where:
Base-Base interactions energy: -35.735
where: short stacking energy: -18.737
Base-Backbone interact. energy: 0.226
local terms energy: -52.364697
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -79.076932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.076932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.076932 (E_RNA)
where:
Base-Base interactions energy: -31.393
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.149
local terms energy: -47.535078
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -1.663
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: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -209.509287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.509287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.509287 (E_RNA)
where:
Base-Base interactions energy: -133.073
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.002
local terms energy: -76.434329
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -18.983
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: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -207.008474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.008474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.008474 (E_RNA)
where:
Base-Base interactions energy: -131.428
where: short stacking energy: -65.448
Base-Backbone interact. energy: -0.076
local terms energy: -75.504736
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -196.434528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.434528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.434528 (E_RNA)
where:
Base-Base interactions energy: -128.995
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.204
local terms energy: -67.235822
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -15.221
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: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -201.823883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.823883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.823883 (E_RNA)
where:
Base-Base interactions energy: -134.180
where: short stacking energy: -61.370
Base-Backbone interact. energy: -0.475
local terms energy: -67.169329
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -194.951706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.951706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.951706 (E_RNA)
where:
Base-Base interactions energy: -129.723
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.021
local terms energy: -65.208341
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -162.162072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.162072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.162072 (E_RNA)
where:
Base-Base interactions energy: -93.615
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.775
local terms energy: -67.771738
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -152.016742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.016742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.016742 (E_RNA)
where:
Base-Base interactions energy: -92.377
where: short stacking energy: -44.786
Base-Backbone interact. energy: -0.047
local terms energy: -59.593446
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -90.055206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.055206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.055206 (E_RNA)
where:
Base-Base interactions energy: -40.015
where: short stacking energy: -40.015
Base-Backbone interact. energy: -0.094
local terms energy: -49.946259
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: 1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -75.228054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.228054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.228054 (E_RNA)
where:
Base-Base interactions energy: -32.412
where: short stacking energy: -19.024
Base-Backbone interact. energy: -0.564
local terms energy: -42.251929
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: 4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -88.334395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.334395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.334395 (E_RNA)
where:
Base-Base interactions energy: -31.976
where: short stacking energy: -30.121
Base-Backbone interact. energy: 0.285
local terms energy: -56.643517
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -216.138536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.138536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.138536 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.002
local terms energy: -77.649023
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -20.288
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: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -212.618956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.618956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.618956 (E_RNA)
where:
Base-Base interactions energy: -130.352
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.405
local terms energy: -81.861958
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -200.488862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.488862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.488862 (E_RNA)
where:
Base-Base interactions energy: -129.573
where: short stacking energy: -69.069
Base-Backbone interact. energy: -0.046
local terms energy: -70.870039
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -188.688946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.688946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.688946 (E_RNA)
where:
Base-Base interactions energy: -118.814
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.789
local terms energy: -69.085963
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -195.683028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.683028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.683028 (E_RNA)
where:
Base-Base interactions energy: -127.008
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.003
local terms energy: -68.671860
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -157.474807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.474807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.474807 (E_RNA)
where:
Base-Base interactions energy: -94.489
where: short stacking energy: -49.146
Base-Backbone interact. energy: -0.054
local terms energy: -62.932417
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -8.440
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: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -97.092300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.092300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.092300 (E_RNA)
where:
Base-Base interactions energy: -42.393
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.399
local terms energy: -54.300456
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -5.203
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: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -124.787832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.787832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.787832 (E_RNA)
where:
Base-Base interactions energy: -76.235
where: short stacking energy: -31.615
Base-Backbone interact. energy: -1.933
local terms energy: -46.620264
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -100.630751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.630751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.630751 (E_RNA)
where:
Base-Base interactions energy: -47.419
where: short stacking energy: -30.550
Base-Backbone interact. energy: -0.241
local terms energy: -52.970405
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -74.740007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.740007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.740007 (E_RNA)
where:
Base-Base interactions energy: -25.794
where: short stacking energy: -21.177
Base-Backbone interact. energy: 0.441
local terms energy: -49.387148
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -1.139
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: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -207.694726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.694726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.694726 (E_RNA)
where:
Base-Base interactions energy: -134.734
where: short stacking energy: -55.239
Base-Backbone interact. energy: 0.210
local terms energy: -73.171275
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -205.222807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.222807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.222807 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.480
local terms energy: -69.784080
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -15.525
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: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -192.505217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.505217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.505217 (E_RNA)
where:
Base-Base interactions energy: -124.133
where: short stacking energy: -66.573
Base-Backbone interact. energy: -0.330
local terms energy: -68.041675
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -206.626783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.626783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.626783 (E_RNA)
where:
Base-Base interactions energy: -130.118
where: short stacking energy: -70.008
Base-Backbone interact. energy: -0.425
local terms energy: -76.083567
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -22.059
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: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -180.209173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.209173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.209173 (E_RNA)
where:
Base-Base interactions energy: -111.579
where: short stacking energy: -55.081
Base-Backbone interact. energy: -0.000
local terms energy: -68.630145
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -11.228
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: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -143.421546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.421546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.421546 (E_RNA)
where:
Base-Base interactions energy: -86.880
where: short stacking energy: -45.487
Base-Backbone interact. energy: 1.451
local terms energy: -57.993210
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -91.891042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.891042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.891042 (E_RNA)
where:
Base-Base interactions energy: -38.727
where: short stacking energy: -35.555
Base-Backbone interact. energy: -0.339
local terms energy: -52.824751
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -142.659590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.659590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.659590 (E_RNA)
where:
Base-Base interactions energy: -87.566
where: short stacking energy: -43.079
Base-Backbone interact. energy: -0.121
local terms energy: -54.972230
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -3.622
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: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -75.441364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.441364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.441364 (E_RNA)
where:
Base-Base interactions energy: -29.464
where: short stacking energy: -8.384
Base-Backbone interact. energy: -0.711
local terms energy: -45.266382
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: 3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -98.263138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.263138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.263138 (E_RNA)
where:
Base-Base interactions energy: -38.224
where: short stacking energy: -38.224
Base-Backbone interact. energy: -0.174
local terms energy: -59.864570
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -8.927
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -204.734622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.734622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.734622 (E_RNA)
where:
Base-Base interactions energy: -134.073
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.544
local terms energy: -70.117315
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -206.735658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.735658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.735658 (E_RNA)
where:
Base-Base interactions energy: -128.511
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.283
local terms energy: -77.942081
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -16.483
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: 140
Temperature: 1.000000
Total energy: -216.468122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.468122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.468122 (E_RNA)
where:
Base-Base interactions energy: -136.957
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.006
local terms energy: -79.504693
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -194.911806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.911806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.911806 (E_RNA)
where:
Base-Base interactions energy: -124.022
where: short stacking energy: -66.603
Base-Backbone interact. energy: -0.090
local terms energy: -70.800311
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -188.635570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.635570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.635570 (E_RNA)
where:
Base-Base interactions energy: -118.651
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.006
local terms energy: -69.978002
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -9.262
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: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -134.336891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.336891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.336891 (E_RNA)
where:
Base-Base interactions energy: -82.182
where: short stacking energy: -46.530
Base-Backbone interact. energy: -0.024
local terms energy: -52.130705
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -3.589
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: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -173.528424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.528424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.528424 (E_RNA)
where:
Base-Base interactions energy: -115.584
where: short stacking energy: -54.210
Base-Backbone interact. energy: -0.451
local terms energy: -57.492929
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -82.500679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.500679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.500679 (E_RNA)
where:
Base-Base interactions energy: -31.469
where: short stacking energy: -22.003
Base-Backbone interact. energy: -0.046
local terms energy: -50.985118
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -78.387038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.387038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.387038 (E_RNA)
where:
Base-Base interactions energy: -31.910
where: short stacking energy: -31.910
Base-Backbone interact. energy: -0.978
local terms energy: -45.498971
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -80.551883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.551883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.551883 (E_RNA)
where:
Base-Base interactions energy: -34.792
where: short stacking energy: -29.859
Base-Backbone interact. energy: -0.071
local terms energy: -45.689085
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: 3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -209.148387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.148387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.148387 (E_RNA)
where:
Base-Base interactions energy: -135.958
where: short stacking energy: -61.769
Base-Backbone interact. energy: -0.096
local terms energy: -73.095023
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -215.632642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.632642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.632642 (E_RNA)
where:
Base-Base interactions energy: -137.901
where: short stacking energy: -75.156
Base-Backbone interact. energy: -0.445
local terms energy: -77.286903
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -202.769077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.769077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.769077 (E_RNA)
where:
Base-Base interactions energy: -128.020
where: short stacking energy: -68.567
Base-Backbone interact. energy: -0.005
local terms energy: -74.744394
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -191.477331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.477331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.477331 (E_RNA)
where:
Base-Base interactions energy: -126.945
where: short stacking energy: -61.818
Base-Backbone interact. energy: 0.438
local terms energy: -64.970423
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -11.409
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: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -180.155199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.155199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.155199 (E_RNA)
where:
Base-Base interactions energy: -115.949
where: short stacking energy: -46.931
Base-Backbone interact. energy: -0.619
local terms energy: -63.587329
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -13.312
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: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -188.575766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.575766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.575766 (E_RNA)
where:
Base-Base interactions energy: -116.963
where: short stacking energy: -54.770
Base-Backbone interact. energy: -0.921
local terms energy: -70.692112
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -134.232922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.232922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.232922 (E_RNA)
where:
Base-Base interactions energy: -85.067
where: short stacking energy: -42.610
Base-Backbone interact. energy: -0.522
local terms energy: -48.643483
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -5.796
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: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -94.642243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.642243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.642243 (E_RNA)
where:
Base-Base interactions energy: -41.291
where: short stacking energy: -41.291
Base-Backbone interact. energy: -0.000
local terms energy: -53.350426
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -86.084268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.084268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.084268 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.235
local terms energy: -50.797786
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -3.083
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -94.998524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.998524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.998524 (E_RNA)
where:
Base-Base interactions energy: -37.511
where: short stacking energy: -37.511
Base-Backbone interact. energy: -1.625
local terms energy: -55.862510
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -212.391316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.391316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.391316 (E_RNA)
where:
Base-Base interactions energy: -134.643
where: short stacking energy: -77.929
Base-Backbone interact. energy: -0.117
local terms energy: -77.630837
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -23.033
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: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -215.397316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.397316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.397316 (E_RNA)
where:
Base-Base interactions energy: -138.413
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.002
local terms energy: -76.982867
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -204.410547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.410547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.410547 (E_RNA)
where:
Base-Base interactions energy: -134.074
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.600
local terms energy: -69.735719
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -15.975
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: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -188.874060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.874060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.874060 (E_RNA)
where:
Base-Base interactions energy: -121.433
where: short stacking energy: -59.470
Base-Backbone interact. energy: -0.034
local terms energy: -67.407148
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -200.184773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.184773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.184773 (E_RNA)
where:
Base-Base interactions energy: -131.271
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.432
local terms energy: -68.481912
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -169.318883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.318883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.318883 (E_RNA)
where:
Base-Base interactions energy: -118.529
where: short stacking energy: -51.643
Base-Backbone interact. energy: 0.546
local terms energy: -51.335973
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -136.767758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.767758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.767758 (E_RNA)
where:
Base-Base interactions energy: -84.916
where: short stacking energy: -39.768
Base-Backbone interact. energy: -0.388
local terms energy: -51.463713
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -90.114281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.114281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.114281 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.398
local terms energy: -55.714197
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -7.796
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: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -83.867202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.867202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.867202 (E_RNA)
where:
Base-Base interactions energy: -41.439
where: short stacking energy: -31.555
Base-Backbone interact. energy: -0.346
local terms energy: -42.082759
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -71.637442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.637442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.637442 (E_RNA)
where:
Base-Base interactions energy: -28.854
where: short stacking energy: -25.452
Base-Backbone interact. energy: -0.216
local terms energy: -42.566868
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -5.938
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -216.972529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.972529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.972529 (E_RNA)
where:
Base-Base interactions energy: -133.987
where: short stacking energy: -65.478
Base-Backbone interact. energy: -0.002
local terms energy: -82.983076
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -216.040882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.040882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.040882 (E_RNA)
where:
Base-Base interactions energy: -138.410
where: short stacking energy: -77.192
Base-Backbone interact. energy: -0.323
local terms energy: -77.307752
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -22.562
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: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -199.186525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.186525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.186525 (E_RNA)
where:
Base-Base interactions energy: -129.332
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.098
local terms energy: -69.756913
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -206.660193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.660193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.660193 (E_RNA)
where:
Base-Base interactions energy: -135.144
where: short stacking energy: -70.603
Base-Backbone interact. energy: -0.370
local terms energy: -71.146121
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -17.818
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: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -196.884355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.884355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.884355 (E_RNA)
where:
Base-Base interactions energy: -129.308
where: short stacking energy: -65.428
Base-Backbone interact. energy: -0.355
local terms energy: -67.221768
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -10.118
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: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -150.252569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.252569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.252569 (E_RNA)
where:
Base-Base interactions energy: -97.984
where: short stacking energy: -51.902
Base-Backbone interact. energy: 0.920
local terms energy: -53.188518
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -9.590
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: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -160.458012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.458012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.458012 (E_RNA)
where:
Base-Base interactions energy: -102.974
where: short stacking energy: -50.789
Base-Backbone interact. energy: -0.484
local terms energy: -57.000696
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -104.430316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.430316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.430316 (E_RNA)
where:
Base-Base interactions energy: -50.191
where: short stacking energy: -50.191
Base-Backbone interact. energy: -0.077
local terms energy: -54.162148
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -84.696338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.696338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.696338 (E_RNA)
where:
Base-Base interactions energy: -35.428
where: short stacking energy: -35.428
Base-Backbone interact. energy: -0.905
local terms energy: -48.363519
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -87.464003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.464003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.464003 (E_RNA)
where:
Base-Base interactions energy: -43.237
where: short stacking energy: -28.450
Base-Backbone interact. energy: -0.110
local terms energy: -44.117306
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: 1.521
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: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -223.825228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.825228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.825228 (E_RNA)
where:
Base-Base interactions energy: -141.453
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.003
local terms energy: -82.368795
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -21.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -213.930393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.930393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.930393 (E_RNA)
where:
Base-Base interactions energy: -132.620
where: short stacking energy: -68.744
Base-Backbone interact. energy: -0.067
local terms energy: -81.243305
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -216.122030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.122030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.122030 (E_RNA)
where:
Base-Base interactions energy: -141.871
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.179
local terms energy: -74.071506
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -194.461338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.461338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.461338 (E_RNA)
where:
Base-Base interactions energy: -130.642
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.006
local terms energy: -63.813179
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -15.163
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: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -173.672930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.672930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.672930 (E_RNA)
where:
Base-Base interactions energy: -104.881
where: short stacking energy: -51.680
Base-Backbone interact. energy: -0.164
local terms energy: -68.628233
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -16.676
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: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -173.401067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.401067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.401067 (E_RNA)
where:
Base-Base interactions energy: -103.925
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.007
local terms energy: -69.468966
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -127.868711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.868711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.868711 (E_RNA)
where:
Base-Base interactions energy: -70.704
where: short stacking energy: -33.377
Base-Backbone interact. energy: 0.900
local terms energy: -58.065447
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -7.361
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: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -146.377937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.377937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.377937 (E_RNA)
where:
Base-Base interactions energy: -93.643
where: short stacking energy: -38.263
Base-Backbone interact. energy: -0.771
local terms energy: -51.964222
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -4.336
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: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -93.247379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.247379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.247379 (E_RNA)
where:
Base-Base interactions energy: -45.842
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.895
local terms energy: -46.511261
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -73.248949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.248949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.248949 (E_RNA)
where:
Base-Base interactions energy: -23.206
where: short stacking energy: -23.206
Base-Backbone interact. energy: -0.582
local terms energy: -49.460621
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -213.209174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.209174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.209174 (E_RNA)
where:
Base-Base interactions energy: -133.750
where: short stacking energy: -71.930
Base-Backbone interact. energy: -0.685
local terms energy: -78.773864
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -220.601152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.601152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.601152 (E_RNA)
where:
Base-Base interactions energy: -142.916
where: short stacking energy: -72.457
Base-Backbone interact. energy: -0.245
local terms energy: -77.440534
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.303
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: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -204.327834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.327834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.327834 (E_RNA)
where:
Base-Base interactions energy: -128.892
where: short stacking energy: -66.633
Base-Backbone interact. energy: -0.670
local terms energy: -74.765864
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -202.306775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.306775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.306775 (E_RNA)
where:
Base-Base interactions energy: -136.602
where: short stacking energy: -55.642
Base-Backbone interact. energy: 0.313
local terms energy: -66.018453
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -7.082
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -174.162140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.162140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.162140 (E_RNA)
where:
Base-Base interactions energy: -104.534
where: short stacking energy: -55.494
Base-Backbone interact. energy: -0.283
local terms energy: -69.345581
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -144.371669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.371669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.371669 (E_RNA)
where:
Base-Base interactions energy: -87.798
where: short stacking energy: -51.775
Base-Backbone interact. energy: -0.514
local terms energy: -56.059733
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -156.632258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.632258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.632258 (E_RNA)
where:
Base-Base interactions energy: -97.120
where: short stacking energy: -44.485
Base-Backbone interact. energy: -0.549
local terms energy: -58.964052
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -150.296998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.296998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.296998 (E_RNA)
where:
Base-Base interactions energy: -91.096
where: short stacking energy: -42.568
Base-Backbone interact. energy: -0.217
local terms energy: -58.983620
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -106.299007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.299007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.299007 (E_RNA)
where:
Base-Base interactions energy: -56.032
where: short stacking energy: -24.729
Base-Backbone interact. energy: 1.922
local terms energy: -52.189451
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -4.877
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: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -89.594123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.594123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.594123 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -30.496
Base-Backbone interact. energy: -0.109
local terms energy: -52.380629
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -223.200242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.200242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.200242 (E_RNA)
where:
Base-Base interactions energy: -143.925
where: short stacking energy: -78.298
Base-Backbone interact. energy: -0.014
local terms energy: -79.261186
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -202.959129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.959129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.959129 (E_RNA)
where:
Base-Base interactions energy: -132.174
where: short stacking energy: -71.996
Base-Backbone interact. energy: -0.122
local terms energy: -70.662925
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -201.309939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.309939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.309939 (E_RNA)
where:
Base-Base interactions energy: -128.824
where: short stacking energy: -66.673
Base-Backbone interact. energy: -0.636
local terms energy: -71.850021
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -188.836157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.836157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.836157 (E_RNA)
where:
Base-Base interactions energy: -126.154
where: short stacking energy: -58.688
Base-Backbone interact. energy: -0.103
local terms energy: -62.579660
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -15.406
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: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -174.142106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.142106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.142106 (E_RNA)
where:
Base-Base interactions energy: -103.484
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.040
local terms energy: -70.618005
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -132.448770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.448770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.448770 (E_RNA)
where:
Base-Base interactions energy: -78.428
where: short stacking energy: -42.807
Base-Backbone interact. energy: -0.052
local terms energy: -53.968291
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -136.419504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.419504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.419504 (E_RNA)
where:
Base-Base interactions energy: -82.207
where: short stacking energy: -47.606
Base-Backbone interact. energy: -0.034
local terms energy: -54.178765
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -6.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -137.214856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.214856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.214856 (E_RNA)
where:
Base-Base interactions energy: -90.492
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.255
local terms energy: -46.467495
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -3.703
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -7.285
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: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -80.632622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.632622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.632622 (E_RNA)
where:
Base-Base interactions energy: -24.854
where: short stacking energy: -24.854
Base-Backbone interact. energy: 0.240
local terms energy: -56.018649
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -78.211320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.211320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.211320 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -34.636
Base-Backbone interact. energy: -0.402
local terms energy: -41.211645
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: 0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -223.832939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.832939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.832939 (E_RNA)
where:
Base-Base interactions energy: -139.636
where: short stacking energy: -72.631
Base-Backbone interact. energy: -0.156
local terms energy: -84.040803
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -22.183
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: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -220.674540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.674540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.674540 (E_RNA)
where:
Base-Base interactions energy: -141.716
where: short stacking energy: -78.619
Base-Backbone interact. energy: -0.004
local terms energy: -78.954703
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -207.168601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.168601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.168601 (E_RNA)
where:
Base-Base interactions energy: -130.007
where: short stacking energy: -66.177
Base-Backbone interact. energy: -0.320
local terms energy: -76.841496
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -162.167830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.167830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.167830 (E_RNA)
where:
Base-Base interactions energy: -105.695
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.011
local terms energy: -56.462145
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -190.152919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.152919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.152919 (E_RNA)
where:
Base-Base interactions energy: -125.471
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.061
local terms energy: -64.621849
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -127.543788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.543788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.543788 (E_RNA)
where:
Base-Base interactions energy: -69.182
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.710
local terms energy: -57.650977
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -5.717
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: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -136.568040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.568040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.568040 (E_RNA)
where:
Base-Base interactions energy: -84.232
where: short stacking energy: -45.860
Base-Backbone interact. energy: -0.020
local terms energy: -52.316098
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -6.883
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: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -92.324071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.324071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.324071 (E_RNA)
where:
Base-Base interactions energy: -36.425
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.123
local terms energy: -55.776126
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -176.617285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.617285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.617285 (E_RNA)
where:
Base-Base interactions energy: -110.803
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.498
local terms energy: -65.315610
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -90.482845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.482845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.482845 (E_RNA)
where:
Base-Base interactions energy: -40.064
where: short stacking energy: -24.795
Base-Backbone interact. energy: -0.068
local terms energy: -50.350577
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -1.544
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: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -223.336108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.336108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.336108 (E_RNA)
where:
Base-Base interactions energy: -147.493
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.001
local terms energy: -75.841896
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -217.727294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.727294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.727294 (E_RNA)
where:
Base-Base interactions energy: -143.899
where: short stacking energy: -76.613
Base-Backbone interact. energy: -0.003
local terms energy: -73.825103
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -204.094577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.094577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.094577 (E_RNA)
where:
Base-Base interactions energy: -128.196
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.184
local terms energy: -75.714533
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -6.627
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: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -169.723076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.723076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.723076 (E_RNA)
where:
Base-Base interactions energy: -106.144
where: short stacking energy: -53.870
Base-Backbone interact. energy: 0.801
local terms energy: -64.379754
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -184.663942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.663942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.663942 (E_RNA)
where:
Base-Base interactions energy: -125.004
where: short stacking energy: -56.359
Base-Backbone interact. energy: -0.166
local terms energy: -59.493809
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -129.600763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.600763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.600763 (E_RNA)
where:
Base-Base interactions energy: -73.236
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.121
local terms energy: -56.244391
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -5.495
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: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -131.242161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.242161 (E_RNA)
where:
Base-Base interactions energy: -78.874
where: short stacking energy: -42.833
Base-Backbone interact. energy: -0.027
local terms energy: -52.341556
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -83.210253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.210253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.210253 (E_RNA)
where:
Base-Base interactions energy: -33.631
where: short stacking energy: -32.596
Base-Backbone interact. energy: -0.157
local terms energy: -49.422288
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -124.216669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.216669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.216669 (E_RNA)
where:
Base-Base interactions energy: -70.840
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.405
local terms energy: -52.971718
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -81.976109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.976109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.976109 (E_RNA)
where:
Base-Base interactions energy: -30.805
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.075
local terms energy: -51.095810
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -6.827
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -225.198382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.198382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.198382 (E_RNA)
where:
Base-Base interactions energy: -143.040
where: short stacking energy: -74.223
Base-Backbone interact. energy: -0.048
local terms energy: -82.111121
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -19.689
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: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -214.907531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.907531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.907531 (E_RNA)
where:
Base-Base interactions energy: -139.812
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.636
local terms energy: -74.459648
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -20.761
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: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -191.208387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.208387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.208387 (E_RNA)
where:
Base-Base interactions energy: -127.071
where: short stacking energy: -59.296
Base-Backbone interact. energy: -0.453
local terms energy: -63.684597
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -192.572772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.572772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.572772 (E_RNA)
where:
Base-Base interactions energy: -131.558
where: short stacking energy: -60.874
Base-Backbone interact. energy: -0.063
local terms energy: -60.951467
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -16.879
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: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -160.221461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.221461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.221461 (E_RNA)
where:
Base-Base interactions energy: -94.795
where: short stacking energy: -50.654
Base-Backbone interact. energy: -0.454
local terms energy: -64.972172
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -153.585267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.585267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.585267 (E_RNA)
where:
Base-Base interactions energy: -91.747
where: short stacking energy: -53.974
Base-Backbone interact. energy: -0.853
local terms energy: -60.985230
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -123.261789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.261789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.261789 (E_RNA)
where:
Base-Base interactions energy: -66.101
where: short stacking energy: -35.718
Base-Backbone interact. energy: -0.061
local terms energy: -57.100182
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -138.727914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.727914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.727914 (E_RNA)
where:
Base-Base interactions energy: -84.773
where: short stacking energy: -35.947
Base-Backbone interact. energy: 0.357
local terms energy: -54.311655
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -91.175675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.175675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.175675 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -34.868
Base-Backbone interact. energy: -0.120
local terms energy: -56.188123
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -4.677
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: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -80.901343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.901343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.901343 (E_RNA)
where:
Base-Base interactions energy: -31.696
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.237
local terms energy: -48.967725
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -7.850
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: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -210.882791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.882791 (E_RNA)
where:
Base-Base interactions energy: -140.806
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.121
local terms energy: -69.955035
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -221.923859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.923859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.923859 (E_RNA)
where:
Base-Base interactions energy: -142.078
where: short stacking energy: -74.327
Base-Backbone interact. energy: -0.259
local terms energy: -79.587655
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -11.493
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: 3, replica: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -183.414679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.414679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.414679 (E_RNA)
where:
Base-Base interactions energy: -118.186
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.256
local terms energy: -64.973328
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -190.813608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.813608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.813608 (E_RNA)
where:
Base-Base interactions energy: -121.577
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.120
local terms energy: -69.117063
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -15.653
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: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -156.897864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.897864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.897864 (E_RNA)
where:
Base-Base interactions energy: -91.024
where: short stacking energy: -43.654
Base-Backbone interact. energy: 0.058
local terms energy: -65.931667
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -9.207
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: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -144.887508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.887508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.887508 (E_RNA)
where:
Base-Base interactions energy: -85.148
where: short stacking energy: -42.170
Base-Backbone interact. energy: -0.130
local terms energy: -59.609629
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -106.519473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.519473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.519473 (E_RNA)
where:
Base-Base interactions energy: -55.379
where: short stacking energy: -30.448
Base-Backbone interact. energy: 1.519
local terms energy: -52.660220
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -125.382648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.382648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.382648 (E_RNA)
where:
Base-Base interactions energy: -63.307
where: short stacking energy: -29.489
Base-Backbone interact. energy: 0.468
local terms energy: -62.543443
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -77.321629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.321629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.321629 (E_RNA)
where:
Base-Base interactions energy: -32.530
where: short stacking energy: -32.530
Base-Backbone interact. energy: 2.702
local terms energy: -47.493368
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -75.393468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.393468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.393468 (E_RNA)
where:
Base-Base interactions energy: -33.327
where: short stacking energy: -33.327
Base-Backbone interact. energy: -0.164
local terms energy: -41.902510
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -6.723
flat angles P-C4'-P energy: -1.341
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: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -207.053699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.053699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.053699 (E_RNA)
where:
Base-Base interactions energy: -130.571
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.244
local terms energy: -76.239225
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -20.208
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: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -218.480091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.480091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.480091 (E_RNA)
where:
Base-Base interactions energy: -133.202
where: short stacking energy: -74.624
Base-Backbone interact. energy: -2.701
local terms energy: -82.576978
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -187.602546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.602546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.602546 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -53.908
Base-Backbone interact. energy: 0.572
local terms energy: -65.102967
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -10.875
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: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -191.644506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.644506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.644506 (E_RNA)
where:
Base-Base interactions energy: -121.338
where: short stacking energy: -67.110
Base-Backbone interact. energy: -1.146
local terms energy: -69.160782
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -9.509
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: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -159.094896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.094896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.094896 (E_RNA)
where:
Base-Base interactions energy: -87.805
where: short stacking energy: -43.986
Base-Backbone interact. energy: -0.054
local terms energy: -71.236188
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -93.352754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.352754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.352754 (E_RNA)
where:
Base-Base interactions energy: -39.468
where: short stacking energy: -30.471
Base-Backbone interact. energy: 0.249
local terms energy: -54.133631
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -147.623658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.623658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.623658 (E_RNA)
where:
Base-Base interactions energy: -96.485
where: short stacking energy: -52.057
Base-Backbone interact. energy: -0.089
local terms energy: -51.049687
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -92.740402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.740402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.740402 (E_RNA)
where:
Base-Base interactions energy: -38.937
where: short stacking energy: -31.732
Base-Backbone interact. energy: 0.911
local terms energy: -54.715073
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -93.886791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.886791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.886791 (E_RNA)
where:
Base-Base interactions energy: -47.256
where: short stacking energy: -19.590
Base-Backbone interact. energy: 1.095
local terms energy: -47.725055
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: 2.456
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: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -71.596477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.596477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.596477 (E_RNA)
where:
Base-Base interactions energy: -30.353
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.069
local terms energy: -41.174446
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -0.828
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: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -213.811886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.811886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.811886 (E_RNA)
where:
Base-Base interactions energy: -134.066
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.098
local terms energy: -79.648476
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -20.458
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: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -209.114859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.114859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.114859 (E_RNA)
where:
Base-Base interactions energy: -137.655
where: short stacking energy: -74.582
Base-Backbone interact. energy: -1.716
local terms energy: -69.743078
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -20.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -203.524234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.524234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.524234 (E_RNA)
where:
Base-Base interactions energy: -126.383
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.002
local terms energy: -77.139248
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -186.950616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.950616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.950616 (E_RNA)
where:
Base-Base interactions energy: -120.761
where: short stacking energy: -53.327
Base-Backbone interact. energy: -0.001
local terms energy: -66.188535
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -169.130340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.130340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.130340 (E_RNA)
where:
Base-Base interactions energy: -111.244
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.008
local terms energy: -57.877632
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -146.011995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.011995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.011995 (E_RNA)
where:
Base-Base interactions energy: -90.984
where: short stacking energy: -60.188
Base-Backbone interact. energy: -0.191
local terms energy: -54.836959
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -12.388
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -136.592354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.592354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.592354 (E_RNA)
where:
Base-Base interactions energy: -82.034
where: short stacking energy: -52.426
Base-Backbone interact. energy: -0.174
local terms energy: -54.384766
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -5.553
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: 152
Temperature: 1.250000
Total energy: -96.678035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.678035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.678035 (E_RNA)
where:
Base-Base interactions energy: -48.430
where: short stacking energy: -48.197
Base-Backbone interact. energy: 0.563
local terms energy: -48.810543
where:
bonds (distance) C4'-P energy: -4.961
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -6.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -80.642302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.642302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.642302 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -32.577
Base-Backbone interact. energy: -0.229
local terms energy: -46.436016
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -77.068372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.068372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.068372 (E_RNA)
where:
Base-Base interactions energy: -30.805
where: short stacking energy: -31.005
Base-Backbone interact. energy: -0.215
local terms energy: -46.049218
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -1.346
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: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -220.162758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.162758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.162758 (E_RNA)
where:
Base-Base interactions energy: -143.689
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.280
local terms energy: -76.193952
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -212.899765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.899765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.899765 (E_RNA)
where:
Base-Base interactions energy: -131.841
where: short stacking energy: -72.353
Base-Backbone interact. energy: -0.675
local terms energy: -80.383928
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -204.808871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.808871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.808871 (E_RNA)
where:
Base-Base interactions energy: -130.859
where: short stacking energy: -75.513
Base-Backbone interact. energy: -0.081
local terms energy: -73.868558
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -183.264253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.264253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.264253 (E_RNA)
where:
Base-Base interactions energy: -108.281
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.004
local terms energy: -74.978842
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -186.176702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.176702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.176702 (E_RNA)
where:
Base-Base interactions energy: -118.957
where: short stacking energy: -55.218
Base-Backbone interact. energy: -0.001
local terms energy: -67.217903
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -131.806922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.806922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.806922 (E_RNA)
where:
Base-Base interactions energy: -83.144
where: short stacking energy: -45.691
Base-Backbone interact. energy: -0.755
local terms energy: -47.908700
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -142.972644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.972644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.972644 (E_RNA)
where:
Base-Base interactions energy: -87.118
where: short stacking energy: -35.407
Base-Backbone interact. energy: -1.022
local terms energy: -54.832796
where:
bonds (distance) C4'-P energy: -7.357
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -86.237234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.237234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.237234 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -28.383
Base-Backbone interact. energy: -0.170
local terms energy: -50.237993
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -8.283
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: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -79.310662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.310662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.310662 (E_RNA)
where:
Base-Base interactions energy: -35.328
where: short stacking energy: -27.166
Base-Backbone interact. energy: -1.113
local terms energy: -42.869286
where:
bonds (distance) C4'-P energy: -6.298
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -1.231
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -83.521045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.521045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.521045 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -26.868
Base-Backbone interact. energy: -0.293
local terms energy: -44.488872
where:
bonds (distance) C4'-P energy: -7.557
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: 0.406
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: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -219.863843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.863843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.863843 (E_RNA)
where:
Base-Base interactions energy: -140.767
where: short stacking energy: -78.853
Base-Backbone interact. energy: 0.032
local terms energy: -79.128761
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -222.981025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.981025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.981025 (E_RNA)
where:
Base-Base interactions energy: -141.949
where: short stacking energy: -77.302
Base-Backbone interact. energy: -0.052
local terms energy: -80.979997
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -22.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -201.106739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.106739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.106739 (E_RNA)
where:
Base-Base interactions energy: -130.553
where: short stacking energy: -68.625
Base-Backbone interact. energy: -0.015
local terms energy: -70.538059
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -172.497495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.497495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.497495 (E_RNA)
where:
Base-Base interactions energy: -108.670
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.265
local terms energy: -63.562323
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -158.929727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.929727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.929727 (E_RNA)
where:
Base-Base interactions energy: -95.010
where: short stacking energy: -46.188
Base-Backbone interact. energy: 0.301
local terms energy: -64.221302
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -171.435951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.435951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.435951 (E_RNA)
where:
Base-Base interactions energy: -106.227
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.152
local terms energy: -65.057705
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -141.099956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.099956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.099956 (E_RNA)
where:
Base-Base interactions energy: -85.057
where: short stacking energy: -48.890
Base-Backbone interact. energy: -0.147
local terms energy: -55.895939
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -7.456
flat angles P-C4'-P energy: -10.493
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: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -81.116581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.116581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.116581 (E_RNA)
where:
Base-Base interactions energy: -30.702
where: short stacking energy: -24.758
Base-Backbone interact. energy: -0.223
local terms energy: -50.191158
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -1.621
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: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -83.389581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.389581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.389581 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -35.498
Base-Backbone interact. energy: -0.071
local terms energy: -46.980643
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -2.516
tors. eta vs tors. theta energy: -3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -90.933452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.933452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.933452 (E_RNA)
where:
Base-Base interactions energy: -44.657
where: short stacking energy: -32.810
Base-Backbone interact. energy: -0.707
local terms energy: -45.569308
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -1.783
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: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -224.659514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.659514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.659514 (E_RNA)
where:
Base-Base interactions energy: -145.589
where: short stacking energy: -77.154
Base-Backbone interact. energy: -0.012
local terms energy: -79.058235
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -226.272425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.272425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.272425 (E_RNA)
where:
Base-Base interactions energy: -142.171
where: short stacking energy: -78.499
Base-Backbone interact. energy: -0.079
local terms energy: -84.022611
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -215.305755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.305755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.305755 (E_RNA)
where:
Base-Base interactions energy: -136.333
where: short stacking energy: -74.085
Base-Backbone interact. energy: -0.132
local terms energy: -78.840697
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -19.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -160.746345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.746345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.746345 (E_RNA)
where:
Base-Base interactions energy: -99.986
where: short stacking energy: -46.996
Base-Backbone interact. energy: -0.134
local terms energy: -60.626757
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -170.310451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.310451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.310451 (E_RNA)
where:
Base-Base interactions energy: -103.920
where: short stacking energy: -56.396
Base-Backbone interact. energy: -0.017
local terms energy: -66.373677
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -12.116
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: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -158.029532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.029532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.029532 (E_RNA)
where:
Base-Base interactions energy: -91.575
where: short stacking energy: -51.889
Base-Backbone interact. energy: -0.584
local terms energy: -65.870546
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -170.030523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.030523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.030523 (E_RNA)
where:
Base-Base interactions energy: -100.247
where: short stacking energy: -46.648
Base-Backbone interact. energy: -0.136
local terms energy: -69.646764
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -93.190895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.190895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.190895 (E_RNA)
where:
Base-Base interactions energy: -36.965
where: short stacking energy: -31.582
Base-Backbone interact. energy: -0.424
local terms energy: -55.801948
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -85.769276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.769276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.769276 (E_RNA)
where:
Base-Base interactions energy: -29.246
where: short stacking energy: -29.246
Base-Backbone interact. energy: -0.021
local terms energy: -56.501917
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -8.433
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: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -81.944847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.944847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.944847 (E_RNA)
where:
Base-Base interactions energy: -28.107
where: short stacking energy: -28.107
Base-Backbone interact. energy: 1.650
local terms energy: -55.488147
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -222.937410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.937410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.937410 (E_RNA)
where:
Base-Base interactions energy: -139.256
where: short stacking energy: -74.451
Base-Backbone interact. energy: -0.006
local terms energy: -83.674981
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -10.431
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: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -224.535132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.535132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.535132 (E_RNA)
where:
Base-Base interactions energy: -143.859
where: short stacking energy: -74.904
Base-Backbone interact. energy: -0.016
local terms energy: -80.659737
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -198.399585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.399585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.399585 (E_RNA)
where:
Base-Base interactions energy: -124.167
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.052
local terms energy: -74.180995
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -168.329392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.329392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.329392 (E_RNA)
where:
Base-Base interactions energy: -98.906
where: short stacking energy: -46.002
Base-Backbone interact. energy: -0.511
local terms energy: -68.911885
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -12.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -167.994776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.994776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.994776 (E_RNA)
where:
Base-Base interactions energy: -98.462
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.106
local terms energy: -69.427529
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -17.776
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: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -151.880309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.880309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.880309 (E_RNA)
where:
Base-Base interactions energy: -93.422
where: short stacking energy: -54.615
Base-Backbone interact. energy: 2.113
local terms energy: -60.570897
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -8.560
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: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -166.084302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.084302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.084302 (E_RNA)
where:
Base-Base interactions energy: -101.352
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.345
local terms energy: -64.387875
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -89.293633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.293633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.293633 (E_RNA)
where:
Base-Base interactions energy: -43.003
where: short stacking energy: -37.668
Base-Backbone interact. energy: -0.117
local terms energy: -46.172955
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -6.457
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -90.135185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.135185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.135185 (E_RNA)
where:
Base-Base interactions energy: -39.250
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.315
local terms energy: -50.570005
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -6.171
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -70.144699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.144699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.144699 (E_RNA)
where:
Base-Base interactions energy: -28.401
where: short stacking energy: -27.964
Base-Backbone interact. energy: 0.121
local terms energy: -41.864050
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -6.639
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -216.548374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.548374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.548374 (E_RNA)
where:
Base-Base interactions energy: -135.241
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.320
local terms energy: -80.986728
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -22.509
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: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -208.494766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.494766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.494766 (E_RNA)
where:
Base-Base interactions energy: -133.016
where: short stacking energy: -63.582
Base-Backbone interact. energy: -0.114
local terms energy: -75.365035
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -210.394927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394927 (E_RNA)
where:
Base-Base interactions energy: -132.822
where: short stacking energy: -70.603
Base-Backbone interact. energy: -0.157
local terms energy: -77.415923
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -173.102932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.102932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.102932 (E_RNA)
where:
Base-Base interactions energy: -103.359
where: short stacking energy: -49.733
Base-Backbone interact. energy: -0.001
local terms energy: -69.742335
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -165.874903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.874903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.874903 (E_RNA)
where:
Base-Base interactions energy: -99.185
where: short stacking energy: -47.371
Base-Backbone interact. energy: -0.275
local terms energy: -66.414395
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -13.269
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: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -190.367545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.367545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.367545 (E_RNA)
where:
Base-Base interactions energy: -120.622
where: short stacking energy: -55.827
Base-Backbone interact. energy: 1.024
local terms energy: -70.768752
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -133.808477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.808477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.808477 (E_RNA)
where:
Base-Base interactions energy: -85.134
where: short stacking energy: -51.330
Base-Backbone interact. energy: 0.441
local terms energy: -49.115921
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -4.643
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: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -84.047178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.047178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.047178 (E_RNA)
where:
Base-Base interactions energy: -29.363
where: short stacking energy: -28.448
Base-Backbone interact. energy: -0.133
local terms energy: -54.551123
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -79.943735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.943735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.943735 (E_RNA)
where:
Base-Base interactions energy: -40.033
where: short stacking energy: -38.598
Base-Backbone interact. energy: -0.042
local terms energy: -39.868080
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -77.124873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.124873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.124873 (E_RNA)
where:
Base-Base interactions energy: -34.765
where: short stacking energy: -25.682
Base-Backbone interact. energy: 0.027
local terms energy: -42.386642
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -210.977854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.977854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.977854 (E_RNA)
where:
Base-Base interactions energy: -137.153
where: short stacking energy: -74.602
Base-Backbone interact. energy: -0.017
local terms energy: -73.808145
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -201.452972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.452972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.452972 (E_RNA)
where:
Base-Base interactions energy: -138.099
where: short stacking energy: -65.833
Base-Backbone interact. energy: -0.662
local terms energy: -62.691783
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -201.910277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.910277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.910277 (E_RNA)
where:
Base-Base interactions energy: -126.052
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.036
local terms energy: -75.822893
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -17.538
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: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -180.572107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.572107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.572107 (E_RNA)
where:
Base-Base interactions energy: -110.954
where: short stacking energy: -57.043
Base-Backbone interact. energy: -0.094
local terms energy: -69.523767
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -187.317962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.317962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.317962 (E_RNA)
where:
Base-Base interactions energy: -120.597
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.118
local terms energy: -66.602496
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -169.763853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.763853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.763853 (E_RNA)
where:
Base-Base interactions energy: -101.482
where: short stacking energy: -53.762
Base-Backbone interact. energy: -1.078
local terms energy: -67.203404
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -88.456111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.456111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.456111 (E_RNA)
where:
Base-Base interactions energy: -38.661
where: short stacking energy: -31.566
Base-Backbone interact. energy: 0.634
local terms energy: -50.428965
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: 1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -147.577780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.577780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.577780 (E_RNA)
where:
Base-Base interactions energy: -88.488
where: short stacking energy: -36.344
Base-Backbone interact. energy: -0.194
local terms energy: -58.895452
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -71.704542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.704542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.704542 (E_RNA)
where:
Base-Base interactions energy: -19.748
where: short stacking energy: -14.186
Base-Backbone interact. energy: 0.683
local terms energy: -52.639263
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: 2.120
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: 158
Temperature: 1.350000
Total energy: -72.665822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.665822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.665822 (E_RNA)
where:
Base-Base interactions energy: -24.622
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.607
local terms energy: -47.436995
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: 3.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -224.696550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.696550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.696550 (E_RNA)
where:
Base-Base interactions energy: -145.313
where: short stacking energy: -79.472
Base-Backbone interact. energy: -0.403
local terms energy: -78.980622
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -22.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -213.125092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.125092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.125092 (E_RNA)
where:
Base-Base interactions energy: -135.869
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.469
local terms energy: -76.786906
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -195.239268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.239268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.239268 (E_RNA)
where:
Base-Base interactions energy: -123.861
where: short stacking energy: -63.659
Base-Backbone interact. energy: -0.562
local terms energy: -70.816322
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -183.691884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.691884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.691884 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.111
local terms energy: -58.967426
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -10.878
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: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -166.833396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.833396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.833396 (E_RNA)
where:
Base-Base interactions energy: -103.964
where: short stacking energy: -49.646
Base-Backbone interact. energy: -0.497
local terms energy: -62.372382
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -165.733978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.733978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.733978 (E_RNA)
where:
Base-Base interactions energy: -102.732
where: short stacking energy: -47.745
Base-Backbone interact. energy: -0.127
local terms energy: -62.875794
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -99.440214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.440214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.440214 (E_RNA)
where:
Base-Base interactions energy: -41.955
where: short stacking energy: -41.955
Base-Backbone interact. energy: -0.121
local terms energy: -57.365046
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -8.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -118.867850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.867850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.867850 (E_RNA)
where:
Base-Base interactions energy: -76.940
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.215
local terms energy: -41.712920
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -2.387
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: 9, replica: 2
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -87.190108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.190108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.190108 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -35.176
Base-Backbone interact. energy: -0.080
local terms energy: -51.934101
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -82.930958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.930958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.930958 (E_RNA)
where:
Base-Base interactions energy: -37.446
where: short stacking energy: -29.090
Base-Backbone interact. energy: 0.395
local terms energy: -45.880477
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: 1.660
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: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -219.449347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.449347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.449347 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -68.848
Base-Backbone interact. energy: -1.171
local terms energy: -84.572257
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -11.574
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: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -218.776750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.776750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.776750 (E_RNA)
where:
Base-Base interactions energy: -146.205
where: short stacking energy: -78.422
Base-Backbone interact. energy: -0.161
local terms energy: -72.410088
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -19.934
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: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -195.857618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.857618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.857618 (E_RNA)
where:
Base-Base interactions energy: -125.265
where: short stacking energy: -62.102
Base-Backbone interact. energy: -0.056
local terms energy: -70.536985
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -196.922401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.922401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.922401 (E_RNA)
where:
Base-Base interactions energy: -117.471
where: short stacking energy: -59.877
Base-Backbone interact. energy: -0.747
local terms energy: -78.704699
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -157.995339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.995339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.995339 (E_RNA)
where:
Base-Base interactions energy: -99.688
where: short stacking energy: -41.088
Base-Backbone interact. energy: -0.277
local terms energy: -58.030657
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -7.902
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: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -175.848418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.848418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.848418 (E_RNA)
where:
Base-Base interactions energy: -105.104
where: short stacking energy: -59.834
Base-Backbone interact. energy: -0.577
local terms energy: -70.166864
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -15.329
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: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -121.891567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.891567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.891567 (E_RNA)
where:
Base-Base interactions energy: -75.728
where: short stacking energy: -47.216
Base-Backbone interact. energy: -0.200
local terms energy: -45.963966
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -84.163863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.163863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.163863 (E_RNA)
where:
Base-Base interactions energy: -28.344
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.091
local terms energy: -55.728878
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -7.002
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: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -91.715094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.715094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.715094 (E_RNA)
where:
Base-Base interactions energy: -37.673
where: short stacking energy: -25.076
Base-Backbone interact. energy: -0.270
local terms energy: -53.772446
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: 1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -78.197162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.197162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.197162 (E_RNA)
where:
Base-Base interactions energy: -31.579
where: short stacking energy: -31.579
Base-Backbone interact. energy: -0.103
local terms energy: -46.514369
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -7.206
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: 161
Temperature: 0.900000
Total energy: -212.232748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.232748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.232748 (E_RNA)
where:
Base-Base interactions energy: -139.494
where: short stacking energy: -74.895
Base-Backbone interact. energy: -0.164
local terms energy: -72.575101
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -18.295
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: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -207.584801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.584801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.584801 (E_RNA)
where:
Base-Base interactions energy: -134.126
where: short stacking energy: -74.104
Base-Backbone interact. energy: 0.026
local terms energy: -73.485491
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -197.464477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.464477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.464477 (E_RNA)
where:
Base-Base interactions energy: -125.667
where: short stacking energy: -59.751
Base-Backbone interact. energy: -0.004
local terms energy: -71.793735
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -197.147071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.147071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.147071 (E_RNA)
where:
Base-Base interactions energy: -126.595
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.042
local terms energy: -70.510749
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -181.896913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.896913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.896913 (E_RNA)
where:
Base-Base interactions energy: -111.374
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.121
local terms energy: -70.402281
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -158.018299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.018299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.018299 (E_RNA)
where:
Base-Base interactions energy: -101.327
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.523
local terms energy: -56.168560
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -145.305137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.305137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.305137 (E_RNA)
where:
Base-Base interactions energy: -86.255
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.639
local terms energy: -58.410996
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -116.504998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.504998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.504998 (E_RNA)
where:
Base-Base interactions energy: -69.342
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.362
local terms energy: -46.801024
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -77.265427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.265427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.265427 (E_RNA)
where:
Base-Base interactions energy: -25.570
where: short stacking energy: -25.104
Base-Backbone interact. energy: -0.316
local terms energy: -51.378631
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: 1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -77.086073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.086073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.086073 (E_RNA)
where:
Base-Base interactions energy: -22.861
where: short stacking energy: -21.711
Base-Backbone interact. energy: -0.097
local terms energy: -54.127897
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -6.915
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: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -217.489851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.489851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.489851 (E_RNA)
where:
Base-Base interactions energy: -136.916
where: short stacking energy: -70.837
Base-Backbone interact. energy: -1.845
local terms energy: -78.729015
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -219.119779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.119779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.119779 (E_RNA)
where:
Base-Base interactions energy: -130.446
where: short stacking energy: -71.600
Base-Backbone interact. energy: -0.879
local terms energy: -87.795309
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -23.012
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: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -180.000789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.000789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.000789 (E_RNA)
where:
Base-Base interactions energy: -117.267
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.240
local terms energy: -62.493357
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.453
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: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -189.296006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.296006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.296006 (E_RNA)
where:
Base-Base interactions energy: -124.062
where: short stacking energy: -62.126
Base-Backbone interact. energy: -0.090
local terms energy: -65.143384
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -170.197283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.197283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.197283 (E_RNA)
where:
Base-Base interactions energy: -105.128
where: short stacking energy: -50.269
Base-Backbone interact. energy: -0.479
local terms energy: -64.590185
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -178.992408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.992408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.992408 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -44.761
Base-Backbone interact. energy: -0.004
local terms energy: -64.224075
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -10.550
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: 162
Temperature: 1.200000
Total energy: -138.700955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.700955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.700955 (E_RNA)
where:
Base-Base interactions energy: -91.542
where: short stacking energy: -47.477
Base-Backbone interact. energy: 0.859
local terms energy: -48.018588
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -142.803135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.803135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.803135 (E_RNA)
where:
Base-Base interactions energy: -89.674
where: short stacking energy: -46.215
Base-Backbone interact. energy: -0.465
local terms energy: -52.664685
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -5.473
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: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -86.047134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.047134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.047134 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -30.349
Base-Backbone interact. energy: -0.853
local terms energy: -54.844880
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -71.360136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.360136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.360136 (E_RNA)
where:
Base-Base interactions energy: -24.772
where: short stacking energy: -21.555
Base-Backbone interact. energy: -0.045
local terms energy: -46.542972
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -2.827
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: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -220.822215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.822215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.822215 (E_RNA)
where:
Base-Base interactions energy: -141.672
where: short stacking energy: -80.040
Base-Backbone interact. energy: -0.252
local terms energy: -78.898672
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.311
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: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -209.057815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.057815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.057815 (E_RNA)
where:
Base-Base interactions energy: -133.852
where: short stacking energy: -68.548
Base-Backbone interact. energy: -0.819
local terms energy: -74.386250
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -163.418918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.418918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.418918 (E_RNA)
where:
Base-Base interactions energy: -105.007
where: short stacking energy: -46.837
Base-Backbone interact. energy: -0.653
local terms energy: -57.758730
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -188.437434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.437434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.437434 (E_RNA)
where:
Base-Base interactions energy: -122.485
where: short stacking energy: -51.657
Base-Backbone interact. energy: -0.061
local terms energy: -65.891452
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -172.892923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.892923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.892923 (E_RNA)
where:
Base-Base interactions energy: -108.504
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.105
local terms energy: -64.283881
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -5.977
flat angles P-C4'-P energy: -8.842
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: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -154.732712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.732712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.732712 (E_RNA)
where:
Base-Base interactions energy: -93.009
where: short stacking energy: -51.145
Base-Backbone interact. energy: -0.856
local terms energy: -60.867282
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -9.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -94.166234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.166234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.166234 (E_RNA)
where:
Base-Base interactions energy: -39.704
where: short stacking energy: -39.704
Base-Backbone interact. energy: -0.110
local terms energy: -54.352663
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -6.745
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: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -85.273217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.273217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.273217 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -27.818
Base-Backbone interact. energy: -1.132
local terms energy: -52.636550
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -131.183419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.183419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.183419 (E_RNA)
where:
Base-Base interactions energy: -85.816
where: short stacking energy: -43.244
Base-Backbone interact. energy: -0.149
local terms energy: -45.218329
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -6.010
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: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -80.741724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.741724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.741724 (E_RNA)
where:
Base-Base interactions energy: -27.619
where: short stacking energy: -25.962
Base-Backbone interact. energy: -0.168
local terms energy: -52.954496
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -0.104
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: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -222.194652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.194652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.194652 (E_RNA)
where:
Base-Base interactions energy: -136.048
where: short stacking energy: -76.587
Base-Backbone interact. energy: -0.469
local terms energy: -85.678042
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -23.055
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: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -212.016436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016436 (E_RNA)
where:
Base-Base interactions energy: -131.223
where: short stacking energy: -71.310
Base-Backbone interact. energy: -0.047
local terms energy: -80.746836
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -21.413
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: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -196.968307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.968307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.968307 (E_RNA)
where:
Base-Base interactions energy: -130.605
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.042
local terms energy: -66.322238
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -17.248
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: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -198.141460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.141460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.141460 (E_RNA)
where:
Base-Base interactions energy: -124.076
where: short stacking energy: -70.608
Base-Backbone interact. energy: -0.006
local terms energy: -74.060026
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -18.856
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: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -172.107188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.107188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.107188 (E_RNA)
where:
Base-Base interactions energy: -105.706
where: short stacking energy: -48.437
Base-Backbone interact. energy: -0.296
local terms energy: -66.104771
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -142.443659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.443659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.443659 (E_RNA)
where:
Base-Base interactions energy: -88.854
where: short stacking energy: -33.065
Base-Backbone interact. energy: -0.300
local terms energy: -53.289641
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: 0.292
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: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -83.654684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.654684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.654684 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.026
local terms energy: -52.772755
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -89.787176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.787176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.787176 (E_RNA)
where:
Base-Base interactions energy: -37.121
where: short stacking energy: -34.335
Base-Backbone interact. energy: -0.213
local terms energy: -52.453464
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -9.608
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -115.710012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.710012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.710012 (E_RNA)
where:
Base-Base interactions energy: -67.972
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.238
local terms energy: -47.500042
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -136.075826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.075826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.075826 (E_RNA)
where:
Base-Base interactions energy: -88.118
where: short stacking energy: -44.115
Base-Backbone interact. energy: -0.231
local terms energy: -47.727325
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -224.771751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.771751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.771751 (E_RNA)
where:
Base-Base interactions energy: -146.194
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.001
local terms energy: -78.577161
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -221.054256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.054256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.054256 (E_RNA)
where:
Base-Base interactions energy: -142.511
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.010
local terms energy: -78.533150
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -199.330440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.330440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.330440 (E_RNA)
where:
Base-Base interactions energy: -133.137
where: short stacking energy: -61.635
Base-Backbone interact. energy: -0.326
local terms energy: -65.867825
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -196.348254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.348254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.348254 (E_RNA)
where:
Base-Base interactions energy: -122.816
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.705
local terms energy: -72.827119
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -9.993
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: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -173.497024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.497024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.497024 (E_RNA)
where:
Base-Base interactions energy: -102.673
where: short stacking energy: -47.655
Base-Backbone interact. energy: -0.189
local terms energy: -70.635198
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -143.174216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.174216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.174216 (E_RNA)
where:
Base-Base interactions energy: -79.897
where: short stacking energy: -39.909
Base-Backbone interact. energy: -1.366
local terms energy: -61.911010
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -92.319425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.319425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.319425 (E_RNA)
where:
Base-Base interactions energy: -45.824
where: short stacking energy: -44.457
Base-Backbone interact. energy: -0.188
local terms energy: -46.306905
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -8.123
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -140.765456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.765456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.765456 (E_RNA)
where:
Base-Base interactions energy: -85.357
where: short stacking energy: -43.766
Base-Backbone interact. energy: -0.115
local terms energy: -55.293707
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.711
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: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -85.361292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.361292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.361292 (E_RNA)
where:
Base-Base interactions energy: -27.167
where: short stacking energy: -27.167
Base-Backbone interact. energy: -0.213
local terms energy: -57.981506
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -130.072554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.072554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.072554 (E_RNA)
where:
Base-Base interactions energy: -81.084
where: short stacking energy: -28.748
Base-Backbone interact. energy: 0.222
local terms energy: -49.210484
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -214.784400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.784400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.784400 (E_RNA)
where:
Base-Base interactions energy: -135.490
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.347
local terms energy: -78.947672
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -214.933739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.933739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.933739 (E_RNA)
where:
Base-Base interactions energy: -144.079
where: short stacking energy: -77.887
Base-Backbone interact. energy: -0.000
local terms energy: -70.855034
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -203.773080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.773080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.773080 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.642
local terms energy: -76.898883
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -20.205
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: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -189.653535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.653535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.653535 (E_RNA)
where:
Base-Base interactions energy: -120.806
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.060
local terms energy: -68.787232
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -16.074
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: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -169.213776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.213776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.213776 (E_RNA)
where:
Base-Base interactions energy: -106.628
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.659
local terms energy: -61.927123
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -10.914
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: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -153.341432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.341432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.341432 (E_RNA)
where:
Base-Base interactions energy: -95.698
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.057
local terms energy: -57.586242
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -9.470
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: 166
Temperature: 1.200000
Total energy: -139.257624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.257624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.257624 (E_RNA)
where:
Base-Base interactions energy: -73.307
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.048
local terms energy: -65.902846
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.790
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: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -104.952009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.952009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.952009 (E_RNA)
where:
Base-Base interactions energy: -60.975
where: short stacking energy: -30.498
Base-Backbone interact. energy: -0.262
local terms energy: -43.715442
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -143.980761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.980761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.980761 (E_RNA)
where:
Base-Base interactions energy: -85.478
where: short stacking energy: -36.215
Base-Backbone interact. energy: 0.501
local terms energy: -59.003329
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -8.892
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: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -73.363134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.363134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.363134 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -28.570
Base-Backbone interact. energy: 1.435
local terms energy: -44.139682
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -1.762
tors. eta vs tors. theta energy: -3.445
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: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -213.059523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.059523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.059523 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.966
local terms energy: -75.110837
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -18.597
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: 167
Temperature: 0.950000
Total energy: -212.987579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.987579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.987579 (E_RNA)
where:
Base-Base interactions energy: -140.299
where: short stacking energy: -70.032
Base-Backbone interact. energy: -0.305
local terms energy: -72.383876
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -7.590
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: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -203.337759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.337759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.337759 (E_RNA)
where:
Base-Base interactions energy: -129.585
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.021
local terms energy: -73.731772
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -188.878095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.878095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.878095 (E_RNA)
where:
Base-Base interactions energy: -127.443
where: short stacking energy: -62.282
Base-Backbone interact. energy: -0.160
local terms energy: -61.275250
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -195.974691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.974691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.974691 (E_RNA)
where:
Base-Base interactions energy: -126.388
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.123
local terms energy: -69.463806
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -16.719
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: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -170.347678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.347678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.347678 (E_RNA)
where:
Base-Base interactions energy: -106.602
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.058
local terms energy: -63.687858
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -20.498
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: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -136.267217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.267217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.267217 (E_RNA)
where:
Base-Base interactions energy: -75.252
where: short stacking energy: -38.870
Base-Backbone interact. energy: -0.159
local terms energy: -60.856110
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -7.899
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: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -127.707562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.707562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.707562 (E_RNA)
where:
Base-Base interactions energy: -77.357
where: short stacking energy: -38.604
Base-Backbone interact. energy: -0.158
local terms energy: -50.192993
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -4.989
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: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -84.512161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.512161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.512161 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -33.451
Base-Backbone interact. energy: -0.349
local terms energy: -50.712669
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -80.786233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.786233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.786233 (E_RNA)
where:
Base-Base interactions energy: -32.656
where: short stacking energy: -24.801
Base-Backbone interact. energy: 0.260
local terms energy: -48.389907
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -220.069936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.069936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.069936 (E_RNA)
where:
Base-Base interactions energy: -142.182
where: short stacking energy: -74.682
Base-Backbone interact. energy: -0.013
local terms energy: -77.875704
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -209.081430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.081430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.081430 (E_RNA)
where:
Base-Base interactions energy: -133.277
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.096
local terms energy: -75.707641
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -12.119
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: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -194.934177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.934177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.934177 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -56.745
Base-Backbone interact. energy: 0.242
local terms energy: -68.470862
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -182.404883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.404883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.404883 (E_RNA)
where:
Base-Base interactions energy: -113.435
where: short stacking energy: -61.278
Base-Backbone interact. energy: 0.230
local terms energy: -69.199800
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -133.902605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.902605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.902605 (E_RNA)
where:
Base-Base interactions energy: -82.368
where: short stacking energy: -41.996
Base-Backbone interact. energy: -0.212
local terms energy: -51.322738
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -6.741
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -5.095
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: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -152.327372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.327372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.327372 (E_RNA)
where:
Base-Base interactions energy: -96.189
where: short stacking energy: -44.020
Base-Backbone interact. energy: -0.059
local terms energy: -56.079371
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -13.997
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: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -140.448390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.448390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.448390 (E_RNA)
where:
Base-Base interactions energy: -84.977
where: short stacking energy: -42.108
Base-Backbone interact. energy: 0.013
local terms energy: -55.484203
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -145.185052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.185052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.185052 (E_RNA)
where:
Base-Base interactions energy: -82.396
where: short stacking energy: -41.936
Base-Backbone interact. energy: 1.444
local terms energy: -64.233606
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -8.203
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: 168
Temperature: 1.300000
Total energy: -76.049265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.049265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.049265 (E_RNA)
where:
Base-Base interactions energy: -29.961
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.466
local terms energy: -45.622082
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -4.112
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -79.647975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.647975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.647975 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -26.040
Base-Backbone interact. energy: -1.090
local terms energy: -41.385778
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -221.098788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.098788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.098788 (E_RNA)
where:
Base-Base interactions energy: -141.763
where: short stacking energy: -75.048
Base-Backbone interact. energy: -0.019
local terms energy: -79.316916
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -207.618484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.618484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.618484 (E_RNA)
where:
Base-Base interactions energy: -133.960
where: short stacking energy: -69.555
Base-Backbone interact. energy: -0.005
local terms energy: -73.653423
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -10.288
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: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -202.950990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.950990 (E_RNA)
where:
Base-Base interactions energy: -129.734
where: short stacking energy: -64.698
Base-Backbone interact. energy: -0.646
local terms energy: -72.570600
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -21.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -197.264801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.264801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.264801 (E_RNA)
where:
Base-Base interactions energy: -126.975
where: short stacking energy: -66.494
Base-Backbone interact. energy: -0.871
local terms energy: -69.418302
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -174.099987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.099987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.099987 (E_RNA)
where:
Base-Base interactions energy: -104.018
where: short stacking energy: -51.500
Base-Backbone interact. energy: -0.086
local terms energy: -69.996522
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -156.703670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.703670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.703670 (E_RNA)
where:
Base-Base interactions energy: -99.326
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.025
local terms energy: -57.352071
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -163.770668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.770668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.770668 (E_RNA)
where:
Base-Base interactions energy: -94.609
where: short stacking energy: -41.883
Base-Backbone interact. energy: 0.604
local terms energy: -69.766182
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -10.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -135.451763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.451763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.451763 (E_RNA)
where:
Base-Base interactions energy: -83.527
where: short stacking energy: -35.531
Base-Backbone interact. energy: -0.681
local terms energy: -51.243290
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -93.343727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.343727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.343727 (E_RNA)
where:
Base-Base interactions energy: -43.774
where: short stacking energy: -29.555
Base-Backbone interact. energy: -0.100
local terms energy: -49.469568
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -77.475970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.475970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.475970 (E_RNA)
where:
Base-Base interactions energy: -22.924
where: short stacking energy: -21.882
Base-Backbone interact. energy: -0.226
local terms energy: -54.326838
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: 0.642
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: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -211.413207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.413207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.413207 (E_RNA)
where:
Base-Base interactions energy: -134.062
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.086
local terms energy: -77.265380
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -18.528
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: 170
Temperature: 0.950000
Total energy: -206.635244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.635244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.635244 (E_RNA)
where:
Base-Base interactions energy: -128.492
where: short stacking energy: -65.192
Base-Backbone interact. energy: -0.001
local terms energy: -78.142313
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -200.393210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.393210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.393210 (E_RNA)
where:
Base-Base interactions energy: -125.207
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.161
local terms energy: -75.025413
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -196.444701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.444701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.444701 (E_RNA)
where:
Base-Base interactions energy: -129.199
where: short stacking energy: -70.420
Base-Backbone interact. energy: -0.321
local terms energy: -66.924647
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -168.035621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.035621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.035621 (E_RNA)
where:
Base-Base interactions energy: -106.517
where: short stacking energy: -50.632
Base-Backbone interact. energy: -0.161
local terms energy: -61.357867
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -179.792647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.792647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.792647 (E_RNA)
where:
Base-Base interactions energy: -117.936
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.070
local terms energy: -61.786120
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -157.181883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.181883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.181883 (E_RNA)
where:
Base-Base interactions energy: -92.845
where: short stacking energy: -46.837
Base-Backbone interact. energy: 1.214
local terms energy: -65.550749
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -120.750096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.750096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.750096 (E_RNA)
where:
Base-Base interactions energy: -74.972
where: short stacking energy: -32.537
Base-Backbone interact. energy: -1.025
local terms energy: -44.752727
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -0.328
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: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -74.028977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.028977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.028977 (E_RNA)
where:
Base-Base interactions energy: -32.660
where: short stacking energy: -29.346
Base-Backbone interact. energy: -0.084
local terms energy: -41.285542
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -82.268311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.268311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.268311 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -20.499
Base-Backbone interact. energy: 0.309
local terms energy: -52.506335
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -216.900078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.900078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.900078 (E_RNA)
where:
Base-Base interactions energy: -132.129
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.002
local terms energy: -84.768572
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -219.364831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.364831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.364831 (E_RNA)
where:
Base-Base interactions energy: -140.677
where: short stacking energy: -76.760
Base-Backbone interact. energy: -0.001
local terms energy: -78.687239
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -203.110783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.110783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.110783 (E_RNA)
where:
Base-Base interactions energy: -131.581
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.010
local terms energy: -71.519669
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -194.033495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.033495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.033495 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -63.259
Base-Backbone interact. energy: -0.028
local terms energy: -69.118693
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -9.462
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -19.426
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: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -170.501534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.501534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.501534 (E_RNA)
where:
Base-Base interactions energy: -104.013
where: short stacking energy: -53.311
Base-Backbone interact. energy: -0.737
local terms energy: -65.751347
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -152.248294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.248294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.248294 (E_RNA)
where:
Base-Base interactions energy: -85.642
where: short stacking energy: -37.300
Base-Backbone interact. energy: -0.223
local terms energy: -66.383871
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -135.692314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.692314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.692314 (E_RNA)
where:
Base-Base interactions energy: -75.512
where: short stacking energy: -41.405
Base-Backbone interact. energy: -0.102
local terms energy: -60.078672
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -8.590
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: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -125.229056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.229056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.229056 (E_RNA)
where:
Base-Base interactions energy: -67.868
where: short stacking energy: -31.771
Base-Backbone interact. energy: -0.279
local terms energy: -57.081450
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -78.343390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.343390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.343390 (E_RNA)
where:
Base-Base interactions energy: -23.905
where: short stacking energy: -24.205
Base-Backbone interact. energy: -0.150
local terms energy: -54.288904
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -85.176642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.176642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.176642 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -31.764
Base-Backbone interact. energy: -0.107
local terms energy: -51.637168
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -214.309837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.309837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.309837 (E_RNA)
where:
Base-Base interactions energy: -140.694
where: short stacking energy: -66.531
Base-Backbone interact. energy: 0.179
local terms energy: -73.794986
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -211.960909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.960909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.960909 (E_RNA)
where:
Base-Base interactions energy: -134.613
where: short stacking energy: -76.369
Base-Backbone interact. energy: -0.060
local terms energy: -77.287785
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -11.188
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -208.127596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.127596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.127596 (E_RNA)
where:
Base-Base interactions energy: -136.015
where: short stacking energy: -68.581
Base-Backbone interact. energy: 0.738
local terms energy: -72.850796
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -17.512
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: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -207.979524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.979524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.979524 (E_RNA)
where:
Base-Base interactions energy: -130.996
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.046
local terms energy: -76.937470
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -167.796216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.796216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.796216 (E_RNA)
where:
Base-Base interactions energy: -107.077
where: short stacking energy: -49.701
Base-Backbone interact. energy: -0.164
local terms energy: -60.555046
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -150.351273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.351273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.351273 (E_RNA)
where:
Base-Base interactions energy: -100.320
where: short stacking energy: -50.804
Base-Backbone interact. energy: 0.708
local terms energy: -50.739014
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -7.728
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -151.860743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.860743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.860743 (E_RNA)
where:
Base-Base interactions energy: -92.219
where: short stacking energy: -49.308
Base-Backbone interact. energy: -0.158
local terms energy: -59.483021
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -10.451
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: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -120.407400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.407400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.407400 (E_RNA)
where:
Base-Base interactions energy: -64.020
where: short stacking energy: -44.121
Base-Backbone interact. energy: -0.280
local terms energy: -56.107028
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -93.295725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.295725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.295725 (E_RNA)
where:
Base-Base interactions energy: -33.234
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.291
local terms energy: -59.771296
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -74.296648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.296648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.296648 (E_RNA)
where:
Base-Base interactions energy: -23.440
where: short stacking energy: -22.518
Base-Backbone interact. energy: -0.107
local terms energy: -50.749804
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: 1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -209.543864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.543864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.543864 (E_RNA)
where:
Base-Base interactions energy: -134.763
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.230
local terms energy: -74.550426
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -14.013
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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -213.170303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.170303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.170303 (E_RNA)
where:
Base-Base interactions energy: -135.738
where: short stacking energy: -73.814
Base-Backbone interact. energy: -0.017
local terms energy: -77.415395
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -19.890
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: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -207.501186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.501186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.501186 (E_RNA)
where:
Base-Base interactions energy: -129.086
where: short stacking energy: -66.833
Base-Backbone interact. energy: -0.245
local terms energy: -78.169442
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -211.409479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.409479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.409479 (E_RNA)
where:
Base-Base interactions energy: -134.705
where: short stacking energy: -70.483
Base-Backbone interact. energy: -0.158
local terms energy: -76.546241
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -175.944283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.944283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.944283 (E_RNA)
where:
Base-Base interactions energy: -107.500
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.002
local terms energy: -68.442186
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -154.838174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.838174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.838174 (E_RNA)
where:
Base-Base interactions energy: -92.657
where: short stacking energy: -43.904
Base-Backbone interact. energy: -0.015
local terms energy: -62.166233
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -149.093417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.093417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.093417 (E_RNA)
where:
Base-Base interactions energy: -94.716
where: short stacking energy: -44.403
Base-Backbone interact. energy: -0.722
local terms energy: -53.655440
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -6.934
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: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -140.708619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.708619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.708619 (E_RNA)
where:
Base-Base interactions energy: -83.329
where: short stacking energy: -42.882
Base-Backbone interact. energy: 0.717
local terms energy: -58.097541
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -6.527
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: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -79.560041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.560041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.560041 (E_RNA)
where:
Base-Base interactions energy: -29.396
where: short stacking energy: -27.383
Base-Backbone interact. energy: -0.202
local terms energy: -49.962224
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -2.812
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: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -72.363720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.363720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.363720 (E_RNA)
where:
Base-Base interactions energy: -23.191
where: short stacking energy: -23.191
Base-Backbone interact. energy: -0.332
local terms energy: -48.840246
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -2.919
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: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -226.739052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.739052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.739052 (E_RNA)
where:
Base-Base interactions energy: -143.682
where: short stacking energy: -77.118
Base-Backbone interact. energy: -0.629
local terms energy: -82.428045
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -208.163314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.163314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.163314 (E_RNA)
where:
Base-Base interactions energy: -143.103
where: short stacking energy: -71.713
Base-Backbone interact. energy: -0.222
local terms energy: -64.837793
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -203.187299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.187299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.187299 (E_RNA)
where:
Base-Base interactions energy: -131.056
where: short stacking energy: -66.268
Base-Backbone interact. energy: 2.142
local terms energy: -74.273375
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -9.914
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: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -206.927868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.927868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.927868 (E_RNA)
where:
Base-Base interactions energy: -133.804
where: short stacking energy: -77.259
Base-Backbone interact. energy: -1.067
local terms energy: -72.056703
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -22.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -170.391766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.391766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.391766 (E_RNA)
where:
Base-Base interactions energy: -96.182
where: short stacking energy: -50.109
Base-Backbone interact. energy: -0.045
local terms energy: -74.164562
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -158.065266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.065266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.065266 (E_RNA)
where:
Base-Base interactions energy: -89.032
where: short stacking energy: -45.636
Base-Backbone interact. energy: -0.157
local terms energy: -68.876068
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.618
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: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -149.809935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.809935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.809935 (E_RNA)
where:
Base-Base interactions energy: -86.226
where: short stacking energy: -42.262
Base-Backbone interact. energy: -0.406
local terms energy: -63.177892
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.554
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: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -176.957316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.957316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.957316 (E_RNA)
where:
Base-Base interactions energy: -107.104
where: short stacking energy: -48.737
Base-Backbone interact. energy: -0.076
local terms energy: -69.776954
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -15.926
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: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -81.009065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.009065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.009065 (E_RNA)
where:
Base-Base interactions energy: -23.807
where: short stacking energy: -22.941
Base-Backbone interact. energy: -0.143
local terms energy: -57.058937
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -10.211
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -76.235617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.235617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.235617 (E_RNA)
where:
Base-Base interactions energy: -23.317
where: short stacking energy: -22.418
Base-Backbone interact. energy: 0.737
local terms energy: -53.655349
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: 2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -222.058013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.058013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.058013 (E_RNA)
where:
Base-Base interactions energy: -142.303
where: short stacking energy: -72.454
Base-Backbone interact. energy: -0.003
local terms energy: -79.752163
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -215.348525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.348525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.348525 (E_RNA)
where:
Base-Base interactions energy: -139.383
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.085
local terms energy: -75.880180
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -20.740
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: 175
Temperature: 1.000000
Total energy: -196.685478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.685478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.685478 (E_RNA)
where:
Base-Base interactions energy: -123.657
where: short stacking energy: -63.427
Base-Backbone interact. energy: -0.252
local terms energy: -72.776378
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -202.015908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.015908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.015908 (E_RNA)
where:
Base-Base interactions energy: -129.557
where: short stacking energy: -67.049
Base-Backbone interact. energy: -0.002
local terms energy: -72.457101
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -181.059335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.059335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.059335 (E_RNA)
where:
Base-Base interactions energy: -115.501
where: short stacking energy: -56.871
Base-Backbone interact. energy: -0.595
local terms energy: -64.963393
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -160.352835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.352835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.352835 (E_RNA)
where:
Base-Base interactions energy: -101.199
where: short stacking energy: -49.819
Base-Backbone interact. energy: -0.150
local terms energy: -59.003498
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -11.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -160.229521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.229521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.229521 (E_RNA)
where:
Base-Base interactions energy: -108.836
where: short stacking energy: -50.312
Base-Backbone interact. energy: -0.009
local terms energy: -51.384508
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -8.835
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -151.217634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.217634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.217634 (E_RNA)
where:
Base-Base interactions energy: -91.297
where: short stacking energy: -44.133
Base-Backbone interact. energy: -0.084
local terms energy: -59.836596
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -80.132390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.132390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.132390 (E_RNA)
where:
Base-Base interactions energy: -34.153
where: short stacking energy: -28.217
Base-Backbone interact. energy: -0.080
local terms energy: -45.899363
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -2.871
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -79.902638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.902638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.902638 (E_RNA)
where:
Base-Base interactions energy: -26.233
where: short stacking energy: -26.233
Base-Backbone interact. energy: -0.490
local terms energy: -53.178767
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -227.587946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.587946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.587946 (E_RNA)
where:
Base-Base interactions energy: -144.120
where: short stacking energy: -77.028
Base-Backbone interact. energy: -0.334
local terms energy: -83.133359
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -217.177830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.177830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.177830 (E_RNA)
where:
Base-Base interactions energy: -138.670
where: short stacking energy: -75.890
Base-Backbone interact. energy: -0.077
local terms energy: -78.430555
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -199.887270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.887270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.887270 (E_RNA)
where:
Base-Base interactions energy: -130.897
where: short stacking energy: -67.946
Base-Backbone interact. energy: -0.481
local terms energy: -68.509900
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -17.544
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: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -191.742000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.742000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.742000 (E_RNA)
where:
Base-Base interactions energy: -119.022
where: short stacking energy: -54.647
Base-Backbone interact. energy: 0.467
local terms energy: -73.187192
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -14.989
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: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -180.370345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370345 (E_RNA)
where:
Base-Base interactions energy: -112.707
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.500
local terms energy: -67.163781
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -139.371688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.371688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.371688 (E_RNA)
where:
Base-Base interactions energy: -83.249
where: short stacking energy: -38.398
Base-Backbone interact. energy: -0.105
local terms energy: -56.017641
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -174.920382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.920382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.920382 (E_RNA)
where:
Base-Base interactions energy: -121.042
where: short stacking energy: -54.394
Base-Backbone interact. energy: -0.566
local terms energy: -53.312724
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -9.900
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: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -150.497512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.497512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.497512 (E_RNA)
where:
Base-Base interactions energy: -94.916
where: short stacking energy: -46.266
Base-Backbone interact. energy: -0.126
local terms energy: -55.455144
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -85.575863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.575863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.575863 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -34.521
Base-Backbone interact. energy: -0.207
local terms energy: -51.613023
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -70.738994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.738994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.738994 (E_RNA)
where:
Base-Base interactions energy: -23.871
where: short stacking energy: -21.845
Base-Backbone interact. energy: -1.789
local terms energy: -45.078710
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -1.758
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: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -215.008461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.008461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.008461 (E_RNA)
where:
Base-Base interactions energy: -131.111
where: short stacking energy: -71.973
Base-Backbone interact. energy: -0.280
local terms energy: -83.617643
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -201.932829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.932829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.932829 (E_RNA)
where:
Base-Base interactions energy: -128.552
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.590
local terms energy: -72.790232
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -17.771
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: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -216.041773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.041773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.041773 (E_RNA)
where:
Base-Base interactions energy: -133.544
where: short stacking energy: -72.377
Base-Backbone interact. energy: -0.216
local terms energy: -82.282352
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -199.259124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.259124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.259124 (E_RNA)
where:
Base-Base interactions energy: -128.050
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.003
local terms energy: -71.205770
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -173.318088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.318088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.318088 (E_RNA)
where:
Base-Base interactions energy: -108.205
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.110
local terms energy: -65.003006
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -14.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -191.633595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.633595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.633595 (E_RNA)
where:
Base-Base interactions energy: -123.548
where: short stacking energy: -60.544
Base-Backbone interact. energy: -0.030
local terms energy: -68.056250
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -173.344775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.344775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.344775 (E_RNA)
where:
Base-Base interactions energy: -111.065
where: short stacking energy: -53.935
Base-Backbone interact. energy: -0.003
local terms energy: -62.276195
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -140.863995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.863995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.863995 (E_RNA)
where:
Base-Base interactions energy: -84.854
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.300
local terms energy: -55.710426
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -83.322964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.322964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.322964 (E_RNA)
where:
Base-Base interactions energy: -36.576
where: short stacking energy: -20.902
Base-Backbone interact. energy: -0.515
local terms energy: -46.232409
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: 4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -73.201430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.201430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.201430 (E_RNA)
where:
Base-Base interactions energy: -21.950
where: short stacking energy: -21.950
Base-Backbone interact. energy: 0.819
local terms energy: -52.070080
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -222.829614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.829614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.829614 (E_RNA)
where:
Base-Base interactions energy: -137.396
where: short stacking energy: -72.543
Base-Backbone interact. energy: -0.174
local terms energy: -85.259339
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -198.817547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.817547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.817547 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -62.596
Base-Backbone interact. energy: -0.028
local terms energy: -73.893670
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -210.780109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.780109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.780109 (E_RNA)
where:
Base-Base interactions energy: -131.441
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.002
local terms energy: -79.337400
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -23.054
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: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -208.294394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.294394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.294394 (E_RNA)
where:
Base-Base interactions energy: -139.854
where: short stacking energy: -72.453
Base-Backbone interact. energy: -0.026
local terms energy: -68.414801
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -7.028
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -21.232
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: 178
Temperature: 1.100000
Total energy: -170.048985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.048985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.048985 (E_RNA)
where:
Base-Base interactions energy: -107.705
where: short stacking energy: -49.773
Base-Backbone interact. energy: -1.847
local terms energy: -60.496343
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -10.046
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: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -161.275406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.275406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.275406 (E_RNA)
where:
Base-Base interactions energy: -92.732
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.073
local terms energy: -68.470092
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -166.661837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.661837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.661837 (E_RNA)
where:
Base-Base interactions energy: -107.627
where: short stacking energy: -49.140
Base-Backbone interact. energy: -0.222
local terms energy: -58.813077
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -179.816039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.816039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.816039 (E_RNA)
where:
Base-Base interactions energy: -109.126
where: short stacking energy: -49.280
Base-Backbone interact. energy: -0.252
local terms energy: -70.438086
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -81.682569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.682569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.682569 (E_RNA)
where:
Base-Base interactions energy: -31.335
where: short stacking energy: -31.335
Base-Backbone interact. energy: -0.398
local terms energy: -49.948927
where:
bonds (distance) C4'-P energy: -7.677
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -79.168374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.168374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.168374 (E_RNA)
where:
Base-Base interactions energy: -40.940
where: short stacking energy: -25.671
Base-Backbone interact. energy: 2.659
local terms energy: -40.887623
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: 1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -227.737507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.737507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.737507 (E_RNA)
where:
Base-Base interactions energy: -150.463
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.003
local terms energy: -77.272301
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -23.665
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: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -218.764582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.764582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.764582 (E_RNA)
where:
Base-Base interactions energy: -144.395
where: short stacking energy: -76.841
Base-Backbone interact. energy: -0.022
local terms energy: -74.347980
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -199.877699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.877699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.877699 (E_RNA)
where:
Base-Base interactions energy: -128.773
where: short stacking energy: -65.158
Base-Backbone interact. energy: -1.011
local terms energy: -70.094634
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -208.856712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.856712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.856712 (E_RNA)
where:
Base-Base interactions energy: -133.479
where: short stacking energy: -68.849
Base-Backbone interact. energy: -0.503
local terms energy: -74.874254
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -186.862977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.862977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.862977 (E_RNA)
where:
Base-Base interactions energy: -118.182
where: short stacking energy: -54.963
Base-Backbone interact. energy: 0.011
local terms energy: -68.691953
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.169
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: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -156.690751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.690751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.690751 (E_RNA)
where:
Base-Base interactions energy: -96.199
where: short stacking energy: -49.457
Base-Backbone interact. energy: -0.178
local terms energy: -60.313595
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -158.178940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.178940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.178940 (E_RNA)
where:
Base-Base interactions energy: -100.489
where: short stacking energy: -38.678
Base-Backbone interact. energy: -0.412
local terms energy: -57.277871
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -10.166
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: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -170.493370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.493370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.493370 (E_RNA)
where:
Base-Base interactions energy: -114.190
where: short stacking energy: -55.193
Base-Backbone interact. energy: -0.083
local terms energy: -56.220324
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -9.088
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -11.543
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: 179
Temperature: 1.300000
Total energy: -103.548224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.548224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.548224 (E_RNA)
where:
Base-Base interactions energy: -56.986
where: short stacking energy: -18.802
Base-Backbone interact. energy: 0.100
local terms energy: -46.661389
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -88.437921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.437921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.437921 (E_RNA)
where:
Base-Base interactions energy: -42.967
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.085
local terms energy: -45.386167
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: 0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -216.168059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.168059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.168059 (E_RNA)
where:
Base-Base interactions energy: -135.400
where: short stacking energy: -73.760
Base-Backbone interact. energy: -0.380
local terms energy: -80.388214
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -12.718
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: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -202.162146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.162146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.162146 (E_RNA)
where:
Base-Base interactions energy: -135.017
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.764
local terms energy: -66.381115
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -209.667465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.667465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.667465 (E_RNA)
where:
Base-Base interactions energy: -137.204
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.636
local terms energy: -71.828365
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -20.295
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: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -207.047050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.047050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.047050 (E_RNA)
where:
Base-Base interactions energy: -131.862
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.111
local terms energy: -75.074286
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -13.065
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: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -167.935772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.935772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.935772 (E_RNA)
where:
Base-Base interactions energy: -102.660
where: short stacking energy: -52.322
Base-Backbone interact. energy: -0.002
local terms energy: -65.273878
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -183.211334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.211334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.211334 (E_RNA)
where:
Base-Base interactions energy: -122.796
where: short stacking energy: -63.864
Base-Backbone interact. energy: -0.240
local terms energy: -60.174583
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -151.869682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.869682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.869682 (E_RNA)
where:
Base-Base interactions energy: -93.783
where: short stacking energy: -34.637
Base-Backbone interact. energy: -0.224
local terms energy: -57.862441
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -3.117
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: 2
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -171.735493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.735493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.735493 (E_RNA)
where:
Base-Base interactions energy: -108.996
where: short stacking energy: -49.928
Base-Backbone interact. energy: -0.160
local terms energy: -62.579633
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -12.003
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: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -90.977364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.977364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.977364 (E_RNA)
where:
Base-Base interactions energy: -45.262
where: short stacking energy: -38.520
Base-Backbone interact. energy: -0.149
local terms energy: -45.565988
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -8.280
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -71.200376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.200376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.200376 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -29.157
Base-Backbone interact. energy: 0.359
local terms energy: -39.470873
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -4.998
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -218.241121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.241121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.241121 (E_RNA)
where:
Base-Base interactions energy: -137.036
where: short stacking energy: -74.091
Base-Backbone interact. energy: -0.622
local terms energy: -80.583364
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -19.652
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: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -209.612319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.612319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.612319 (E_RNA)
where:
Base-Base interactions energy: -130.219
where: short stacking energy: -68.183
Base-Backbone interact. energy: -0.815
local terms energy: -78.578005
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -197.681531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.681531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.681531 (E_RNA)
where:
Base-Base interactions energy: -124.365
where: short stacking energy: -65.191
Base-Backbone interact. energy: -0.149
local terms energy: -73.168259
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -15.056
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: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -194.474236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.474236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.474236 (E_RNA)
where:
Base-Base interactions energy: -126.649
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.459
local terms energy: -67.365919
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -17.955
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: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -187.606371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.606371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.606371 (E_RNA)
where:
Base-Base interactions energy: -109.595
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.047
local terms energy: -77.964495
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -187.834624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.834624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.834624 (E_RNA)
where:
Base-Base interactions energy: -117.156
where: short stacking energy: -61.108
Base-Backbone interact. energy: -0.144
local terms energy: -70.534511
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -10.909
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: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -174.219935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.219935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.219935 (E_RNA)
where:
Base-Base interactions energy: -116.321
where: short stacking energy: -50.333
Base-Backbone interact. energy: -0.020
local terms energy: -57.878841
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -91.107582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.107582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.107582 (E_RNA)
where:
Base-Base interactions energy: -45.631
where: short stacking energy: -40.926
Base-Backbone interact. energy: -1.401
local terms energy: -44.076155
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -5.326
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -3.834
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: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -157.291281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.291281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.291281 (E_RNA)
where:
Base-Base interactions energy: -105.190
where: short stacking energy: -41.464
Base-Backbone interact. energy: -0.679
local terms energy: -51.422295
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -87.069911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.069911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.069911 (E_RNA)
where:
Base-Base interactions energy: -30.085
where: short stacking energy: -30.085
Base-Backbone interact. energy: 0.214
local terms energy: -57.199170
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -2.828
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: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -225.426272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.426272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.426272 (E_RNA)
where:
Base-Base interactions energy: -149.375
where: short stacking energy: -76.036
Base-Backbone interact. energy: -2.555
local terms energy: -73.495973
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -21.962
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: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -217.242728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.242728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.242728 (E_RNA)
where:
Base-Base interactions energy: -137.730
where: short stacking energy: -74.333
Base-Backbone interact. energy: -0.200
local terms energy: -79.312283
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -216.491971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.491971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.491971 (E_RNA)
where:
Base-Base interactions energy: -137.563
where: short stacking energy: -70.162
Base-Backbone interact. energy: -0.002
local terms energy: -78.927174
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -22.663
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: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -197.119230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.119230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.119230 (E_RNA)
where:
Base-Base interactions energy: -128.652
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.591
local terms energy: -67.876677
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -18.306
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: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -187.985242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.985242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.985242 (E_RNA)
where:
Base-Base interactions energy: -117.836
where: short stacking energy: -62.648
Base-Backbone interact. energy: -0.122
local terms energy: -70.027451
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -142.446674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.446674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.446674 (E_RNA)
where:
Base-Base interactions energy: -87.879
where: short stacking energy: -42.128
Base-Backbone interact. energy: -0.196
local terms energy: -54.370979
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -161.396461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.396461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.396461 (E_RNA)
where:
Base-Base interactions energy: -106.592
where: short stacking energy: -44.972
Base-Backbone interact. energy: -0.417
local terms energy: -54.387537
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -81.853836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.853836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.853836 (E_RNA)
where:
Base-Base interactions energy: -27.586
where: short stacking energy: -22.263
Base-Backbone interact. energy: -1.332
local terms energy: -52.936460
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -3.443
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: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -114.594608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.594608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.594608 (E_RNA)
where:
Base-Base interactions energy: -69.756
where: short stacking energy: -31.680
Base-Backbone interact. energy: 2.192
local terms energy: -47.030295
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -2.209
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: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -79.487071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.487071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.487071 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -31.708
Base-Backbone interact. energy: -0.062
local terms energy: -48.741708
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -5.324
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: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -219.848852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.848852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.848852 (E_RNA)
where:
Base-Base interactions energy: -143.908
where: short stacking energy: -71.357
Base-Backbone interact. energy: -0.042
local terms energy: -75.898998
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -214.908629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.908629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.908629 (E_RNA)
where:
Base-Base interactions energy: -136.309
where: short stacking energy: -66.475
Base-Backbone interact. energy: -0.143
local terms energy: -78.456534
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -10.840
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: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -208.781007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.781007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.781007 (E_RNA)
where:
Base-Base interactions energy: -137.937
where: short stacking energy: -70.730
Base-Backbone interact. energy: 1.553
local terms energy: -72.396664
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.917
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: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -198.103765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.103765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.103765 (E_RNA)
where:
Base-Base interactions energy: -124.641
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.002
local terms energy: -73.460036
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -17.706
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: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -192.106810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.106810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.106810 (E_RNA)
where:
Base-Base interactions energy: -125.841
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.001
local terms energy: -66.264923
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -17.570
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: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -165.743224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.743224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.743224 (E_RNA)
where:
Base-Base interactions energy: -96.742
where: short stacking energy: -38.364
Base-Backbone interact. energy: -1.297
local terms energy: -67.704231
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.070
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: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -149.457730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.457730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.457730 (E_RNA)
where:
Base-Base interactions energy: -90.763
where: short stacking energy: -41.959
Base-Backbone interact. energy: -0.052
local terms energy: -58.642769
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -9.555
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: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -81.575626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.575626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.575626 (E_RNA)
where:
Base-Base interactions energy: -35.182
where: short stacking energy: -25.140
Base-Backbone interact. energy: -0.184
local terms energy: -46.209719
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -97.445123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.445123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.445123 (E_RNA)
where:
Base-Base interactions energy: -48.045
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.317
local terms energy: -49.082777
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -73.029250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.029250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.029250 (E_RNA)
where:
Base-Base interactions energy: -26.955
where: short stacking energy: -19.618
Base-Backbone interact. energy: -0.682
local terms energy: -45.392737
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: 4.841
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: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -216.826304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.826304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.826304 (E_RNA)
where:
Base-Base interactions energy: -138.627
where: short stacking energy: -70.786
Base-Backbone interact. energy: -0.005
local terms energy: -78.194545
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -8.317
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: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -204.679905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.679905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.679905 (E_RNA)
where:
Base-Base interactions energy: -129.255
where: short stacking energy: -62.493
Base-Backbone interact. energy: -0.272
local terms energy: -75.153446
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -15.638
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: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -213.351522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.351522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.351522 (E_RNA)
where:
Base-Base interactions energy: -132.354
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.541
local terms energy: -80.456759
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -9.192
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: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -196.933563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.933563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.933563 (E_RNA)
where:
Base-Base interactions energy: -122.051
where: short stacking energy: -59.140
Base-Backbone interact. energy: -0.839
local terms energy: -74.043552
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -19.100
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: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -174.925510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.925510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.925510 (E_RNA)
where:
Base-Base interactions energy: -115.757
where: short stacking energy: -48.557
Base-Backbone interact. energy: -0.028
local terms energy: -59.140754
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -7.499
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: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -170.854152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.854152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.854152 (E_RNA)
where:
Base-Base interactions energy: -108.031
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.195
local terms energy: -62.628305
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -181.318641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.318641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.318641 (E_RNA)
where:
Base-Base interactions energy: -115.611
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.007
local terms energy: -65.701411
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -85.562837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562837 (E_RNA)
where:
Base-Base interactions energy: -39.350
where: short stacking energy: -25.213
Base-Backbone interact. energy: -0.249
local terms energy: -45.964436
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: 4.203
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: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -83.066916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.066916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.066916 (E_RNA)
where:
Base-Base interactions energy: -39.878
where: short stacking energy: -36.543
Base-Backbone interact. energy: 1.625
local terms energy: -44.813725
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -81.096998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.096998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.096998 (E_RNA)
where:
Base-Base interactions energy: -25.200
where: short stacking energy: -25.200
Base-Backbone interact. energy: 0.622
local terms energy: -56.518986
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -8.385
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: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -222.757063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.757063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.757063 (E_RNA)
where:
Base-Base interactions energy: -139.947
where: short stacking energy: -73.822
Base-Backbone interact. energy: 0.412
local terms energy: -83.221948
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -209.961430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.961430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.961430 (E_RNA)
where:
Base-Base interactions energy: -132.604
where: short stacking energy: -67.112
Base-Backbone interact. energy: -0.114
local terms energy: -77.242711
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -19.163
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: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -204.548043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.548043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.548043 (E_RNA)
where:
Base-Base interactions energy: -127.483
where: short stacking energy: -73.178
Base-Backbone interact. energy: -0.239
local terms energy: -76.825950
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -9.505
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: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -186.197862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.197862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.197862 (E_RNA)
where:
Base-Base interactions energy: -120.174
where: short stacking energy: -59.761
Base-Backbone interact. energy: -0.100
local terms energy: -65.923622
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -189.857060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.857060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.857060 (E_RNA)
where:
Base-Base interactions energy: -115.802
where: short stacking energy: -59.727
Base-Backbone interact. energy: -0.549
local terms energy: -73.506662
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -187.756864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.756864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.756864 (E_RNA)
where:
Base-Base interactions energy: -119.279
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.988
local terms energy: -67.490294
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -162.285334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.285334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.285334 (E_RNA)
where:
Base-Base interactions energy: -98.097
where: short stacking energy: -59.172
Base-Backbone interact. energy: -0.097
local terms energy: -64.091461
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -17.482
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: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -77.241561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.241561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.241561 (E_RNA)
where:
Base-Base interactions energy: -24.087
where: short stacking energy: -21.055
Base-Backbone interact. energy: 0.770
local terms energy: -53.923841
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -6.113
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: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -90.445330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.445330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.445330 (E_RNA)
where:
Base-Base interactions energy: -35.859
where: short stacking energy: -28.163
Base-Backbone interact. energy: -0.527
local terms energy: -54.058634
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -2.358
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: 185
Temperature: 1.350000
Total energy: -73.394547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.394547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.394547 (E_RNA)
where:
Base-Base interactions energy: -22.402
where: short stacking energy: -13.870
Base-Backbone interact. energy: -1.773
local terms energy: -49.220062
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: 0.100
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: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -214.732955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.732955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.732955 (E_RNA)
where:
Base-Base interactions energy: -134.569
where: short stacking energy: -67.049
Base-Backbone interact. energy: -1.366
local terms energy: -78.797698
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -218.958152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.958152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.958152 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -74.129
Base-Backbone interact. energy: -0.107
local terms energy: -83.858169
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -187.115615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.115615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.115615 (E_RNA)
where:
Base-Base interactions energy: -119.832
where: short stacking energy: -57.704
Base-Backbone interact. energy: -0.031
local terms energy: -67.252312
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -12.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -195.788913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.788913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.788913 (E_RNA)
where:
Base-Base interactions energy: -121.287
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.002
local terms energy: -74.499231
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -20.331
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: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -190.064017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.064017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.064017 (E_RNA)
where:
Base-Base interactions energy: -123.061
where: short stacking energy: -56.357
Base-Backbone interact. energy: -0.095
local terms energy: -66.908199
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.168
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: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -154.498575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.498575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.498575 (E_RNA)
where:
Base-Base interactions energy: -99.381
where: short stacking energy: -53.728
Base-Backbone interact. energy: -0.122
local terms energy: -54.995739
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -152.231414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.231414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.231414 (E_RNA)
where:
Base-Base interactions energy: -100.469
where: short stacking energy: -48.862
Base-Backbone interact. energy: -0.338
local terms energy: -51.424291
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -6.344
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: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -101.698322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.698322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.698322 (E_RNA)
where:
Base-Base interactions energy: -53.584
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.008
local terms energy: -48.106976
where:
bonds (distance) C4'-P energy: -6.261
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -81.439589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.439589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.439589 (E_RNA)
where:
Base-Base interactions energy: -33.723
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.107
local terms energy: -47.610104
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -77.365750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.365750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.365750 (E_RNA)
where:
Base-Base interactions energy: -28.777
where: short stacking energy: -28.777
Base-Backbone interact. energy: -0.025
local terms energy: -48.564030
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -3.358
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: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -212.129262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.129262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.129262 (E_RNA)
where:
Base-Base interactions energy: -136.076
where: short stacking energy: -67.276
Base-Backbone interact. energy: -0.963
local terms energy: -75.089753
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -181.059270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.059270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.059270 (E_RNA)
where:
Base-Base interactions energy: -112.407
where: short stacking energy: -58.361
Base-Backbone interact. energy: -0.027
local terms energy: -68.624797
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -224.057947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.057947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057947 (E_RNA)
where:
Base-Base interactions energy: -141.667
where: short stacking energy: -74.905
Base-Backbone interact. energy: -0.319
local terms energy: -82.072368
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -23.050
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: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -191.319213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.319213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.319213 (E_RNA)
where:
Base-Base interactions energy: -118.209
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.590
local terms energy: -72.520085
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -190.372099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.372099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.372099 (E_RNA)
where:
Base-Base interactions energy: -124.237
where: short stacking energy: -64.958
Base-Backbone interact. energy: -0.094
local terms energy: -66.040874
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -162.162318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.162318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.162318 (E_RNA)
where:
Base-Base interactions energy: -96.835
where: short stacking energy: -54.447
Base-Backbone interact. energy: -0.061
local terms energy: -65.266100
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -124.959587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.959587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.959587 (E_RNA)
where:
Base-Base interactions energy: -70.257
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.107
local terms energy: -54.594762
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -81.074101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.074101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.074101 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -30.844
Base-Backbone interact. energy: -0.260
local terms energy: -49.969799
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -7.111
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -4.202
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: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -80.098508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.098508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.098508 (E_RNA)
where:
Base-Base interactions energy: -28.377
where: short stacking energy: -17.442
Base-Backbone interact. energy: -0.335
local terms energy: -51.385822
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: 0.043
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: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -68.522885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.522885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.522885 (E_RNA)
where:
Base-Base interactions energy: -21.639
where: short stacking energy: -19.903
Base-Backbone interact. energy: -0.011
local terms energy: -46.873263
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -6.546
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -3.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -213.953309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.953309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.953309 (E_RNA)
where:
Base-Base interactions energy: -143.185
where: short stacking energy: -72.347
Base-Backbone interact. energy: -0.195
local terms energy: -70.573301
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.673
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: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -198.826119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.826119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.826119 (E_RNA)
where:
Base-Base interactions energy: -123.752
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.001
local terms energy: -75.073679
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -9.624
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: 3, replica: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -213.007446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.007446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.007446 (E_RNA)
where:
Base-Base interactions energy: -135.728
where: short stacking energy: -72.032
Base-Backbone interact. energy: -0.056
local terms energy: -77.222941
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -194.371184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.371184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.371184 (E_RNA)
where:
Base-Base interactions energy: -125.104
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.656
local terms energy: -68.610809
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -191.071525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.071525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.071525 (E_RNA)
where:
Base-Base interactions energy: -123.511
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.000
local terms energy: -67.560234
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -163.608498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.608498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.608498 (E_RNA)
where:
Base-Base interactions energy: -108.131
where: short stacking energy: -50.625
Base-Backbone interact. energy: -0.030
local terms energy: -55.447659
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -7.407
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: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -99.812293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.812293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.812293 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -38.871
Base-Backbone interact. energy: -0.054
local terms energy: -60.887782
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -88.012843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.012843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.012843 (E_RNA)
where:
Base-Base interactions energy: -38.701
where: short stacking energy: -17.413
Base-Backbone interact. energy: 1.042
local terms energy: -50.353531
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -3.282
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: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -78.945856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.945856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.945856 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.215
local terms energy: -46.517670
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: 2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -73.558105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.558105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.558105 (E_RNA)
where:
Base-Base interactions energy: -24.740
where: short stacking energy: -21.816
Base-Backbone interact. energy: 0.053
local terms energy: -48.870873
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -209.087810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.087810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.087810 (E_RNA)
where:
Base-Base interactions energy: -132.738
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.072
local terms energy: -76.278138
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -211.134569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.134569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.134569 (E_RNA)
where:
Base-Base interactions energy: -138.053
where: short stacking energy: -67.008
Base-Backbone interact. energy: -0.024
local terms energy: -73.058261
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -212.225982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.225982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.225982 (E_RNA)
where:
Base-Base interactions energy: -140.237
where: short stacking energy: -67.006
Base-Backbone interact. energy: -0.000
local terms energy: -71.988380
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -201.154104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.154104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.154104 (E_RNA)
where:
Base-Base interactions energy: -131.116
where: short stacking energy: -63.407
Base-Backbone interact. energy: -0.007
local terms energy: -70.030975
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -19.636
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: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -191.931234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.931234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.931234 (E_RNA)
where:
Base-Base interactions energy: -123.381
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.193
local terms energy: -68.356862
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -187.793511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.793511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.793511 (E_RNA)
where:
Base-Base interactions energy: -124.823
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.516
local terms energy: -62.454612
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -90.214797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.214797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.214797 (E_RNA)
where:
Base-Base interactions energy: -29.392
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.185
local terms energy: -60.637991
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -83.462987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.462987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.462987 (E_RNA)
where:
Base-Base interactions energy: -30.246
where: short stacking energy: -24.430
Base-Backbone interact. energy: -0.099
local terms energy: -53.117672
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -4.481
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: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -80.956281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.956281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.956281 (E_RNA)
where:
Base-Base interactions energy: -35.246
where: short stacking energy: -33.227
Base-Backbone interact. energy: -0.786
local terms energy: -44.924531
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -3.125
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: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -77.390091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.390091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.390091 (E_RNA)
where:
Base-Base interactions energy: -22.675
where: short stacking energy: -22.675
Base-Backbone interact. energy: -0.309
local terms energy: -54.406049
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -221.992395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.992395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.992395 (E_RNA)
where:
Base-Base interactions energy: -143.163
where: short stacking energy: -73.856
Base-Backbone interact. energy: -0.184
local terms energy: -78.646326
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -216.410620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.410620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.410620 (E_RNA)
where:
Base-Base interactions energy: -143.644
where: short stacking energy: -74.174
Base-Backbone interact. energy: -0.414
local terms energy: -72.352802
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -194.929928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.929928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.929928 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.002
local terms energy: -70.076797
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -196.661037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.661037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.661037 (E_RNA)
where:
Base-Base interactions energy: -131.775
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.218
local terms energy: -64.667578
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -174.316277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.316277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.316277 (E_RNA)
where:
Base-Base interactions energy: -117.531
where: short stacking energy: -49.049
Base-Backbone interact. energy: -0.231
local terms energy: -56.553688
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -8.926
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: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -188.271228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.271228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.271228 (E_RNA)
where:
Base-Base interactions energy: -116.257
where: short stacking energy: -64.292
Base-Backbone interact. energy: -0.105
local terms energy: -71.908829
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -15.011
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: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -100.771699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.771699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.771699 (E_RNA)
where:
Base-Base interactions energy: -36.426
where: short stacking energy: -34.689
Base-Backbone interact. energy: -0.140
local terms energy: -64.205781
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -8.068
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: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -77.670862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.670862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.670862 (E_RNA)
where:
Base-Base interactions energy: -29.287
where: short stacking energy: -24.728
Base-Backbone interact. energy: -0.158
local terms energy: -48.225751
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -87.148786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.148786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.148786 (E_RNA)
where:
Base-Base interactions energy: -38.992
where: short stacking energy: -29.207
Base-Backbone interact. energy: -0.090
local terms energy: -48.066408
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -6.277
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -88.929132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.929132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.929132 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -31.267
Base-Backbone interact. energy: 0.232
local terms energy: -54.379353
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -7.655
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: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -217.268036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.268036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.268036 (E_RNA)
where:
Base-Base interactions energy: -136.014
where: short stacking energy: -70.370
Base-Backbone interact. energy: -3.005
local terms energy: -78.249134
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.538
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: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -206.823551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.823551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.823551 (E_RNA)
where:
Base-Base interactions energy: -134.956
where: short stacking energy: -64.665
Base-Backbone interact. energy: -0.177
local terms energy: -71.691345
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -19.887
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: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -212.287305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.287305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.287305 (E_RNA)
where:
Base-Base interactions energy: -135.511
where: short stacking energy: -74.223
Base-Backbone interact. energy: -0.248
local terms energy: -76.529234
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -194.800595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.800595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.800595 (E_RNA)
where:
Base-Base interactions energy: -124.990
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.079
local terms energy: -69.730998
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -177.687705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.687705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.687705 (E_RNA)
where:
Base-Base interactions energy: -107.381
where: short stacking energy: -48.205
Base-Backbone interact. energy: -0.325
local terms energy: -69.981145
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -136.804028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.804028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.804028 (E_RNA)
where:
Base-Base interactions energy: -70.483
where: short stacking energy: -43.259
Base-Backbone interact. energy: -0.037
local terms energy: -66.283994
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -11.733
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: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -136.824114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.824114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.824114 (E_RNA)
where:
Base-Base interactions energy: -80.011
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.253
local terms energy: -56.560147
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -3.023
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: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -88.798334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.798334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.798334 (E_RNA)
where:
Base-Base interactions energy: -34.247
where: short stacking energy: -25.416
Base-Backbone interact. energy: -0.154
local terms energy: -54.396441
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -75.063686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.063686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.063686 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -30.904
Base-Backbone interact. energy: -0.182
local terms energy: -43.120804
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -77.279188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.279188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.279188 (E_RNA)
where:
Base-Base interactions energy: -25.325
where: short stacking energy: -18.259
Base-Backbone interact. energy: -0.822
local terms energy: -51.131971
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: 0.580
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: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -210.927109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.927109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.927109 (E_RNA)
where:
Base-Base interactions energy: -134.904
where: short stacking energy: -68.538
Base-Backbone interact. energy: -0.778
local terms energy: -75.244303
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -218.226736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.226736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.226736 (E_RNA)
where:
Base-Base interactions energy: -140.635
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.077
local terms energy: -77.514837
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -19.889
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: 192
Temperature: 1.000000
Total energy: -197.637597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.637597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.637597 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.001
local terms energy: -67.227118
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -202.852115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.852115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.852115 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -63.776
Base-Backbone interact. energy: -0.408
local terms energy: -68.202828
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -6.688
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: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -172.540706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.540706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.540706 (E_RNA)
where:
Base-Base interactions energy: -111.041
where: short stacking energy: -56.650
Base-Backbone interact. energy: 0.214
local terms energy: -61.712844
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -167.478915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.478915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.478915 (E_RNA)
where:
Base-Base interactions energy: -114.552
where: short stacking energy: -52.694
Base-Backbone interact. energy: -0.440
local terms energy: -52.487420
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -5.166
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -145.008943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.008943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.008943 (E_RNA)
where:
Base-Base interactions energy: -95.862
where: short stacking energy: -42.162
Base-Backbone interact. energy: -0.079
local terms energy: -49.067650
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -9.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -88.997211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.997211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.997211 (E_RNA)
where:
Base-Base interactions energy: -43.728
where: short stacking energy: -31.742
Base-Backbone interact. energy: -0.023
local terms energy: -45.246367
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -6.417
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -87.582842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.582842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.582842 (E_RNA)
where:
Base-Base interactions energy: -36.387
where: short stacking energy: -36.387
Base-Backbone interact. energy: -0.455
local terms energy: -50.740766
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -5.527
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: 192
Temperature: 1.350000
Total energy: -74.120718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.120718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.120718 (E_RNA)
where:
Base-Base interactions energy: -28.670
where: short stacking energy: -22.331
Base-Backbone interact. energy: -0.121
local terms energy: -45.329799
where:
bonds (distance) C4'-P energy: -8.054
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -211.718816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.718816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.718816 (E_RNA)
where:
Base-Base interactions energy: -134.785
where: short stacking energy: -71.085
Base-Backbone interact. energy: -0.002
local terms energy: -76.931911
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -210.828881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.828881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.828881 (E_RNA)
where:
Base-Base interactions energy: -138.714
where: short stacking energy: -72.374
Base-Backbone interact. energy: -0.001
local terms energy: -72.114215
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -19.301
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: 3, replica: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -202.261671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.261671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.261671 (E_RNA)
where:
Base-Base interactions energy: -128.374
where: short stacking energy: -58.741
Base-Backbone interact. energy: -0.011
local terms energy: -73.876573
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -17.771
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: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -190.734148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.734148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.734148 (E_RNA)
where:
Base-Base interactions energy: -121.653
where: short stacking energy: -54.848
Base-Backbone interact. energy: -0.001
local terms energy: -69.080590
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -13.174
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: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -196.391481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.391481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.391481 (E_RNA)
where:
Base-Base interactions energy: -124.781
where: short stacking energy: -62.095
Base-Backbone interact. energy: 0.166
local terms energy: -71.775990
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -163.117374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.117374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.117374 (E_RNA)
where:
Base-Base interactions energy: -110.051
where: short stacking energy: -51.351
Base-Backbone interact. energy: -0.592
local terms energy: -52.473832
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -176.016534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.016534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.016534 (E_RNA)
where:
Base-Base interactions energy: -119.902
where: short stacking energy: -55.360
Base-Backbone interact. energy: -0.018
local terms energy: -56.096491
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -156.792444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.792444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.792444 (E_RNA)
where:
Base-Base interactions energy: -98.707
where: short stacking energy: -37.158
Base-Backbone interact. energy: 1.769
local terms energy: -59.854105
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -86.747467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.747467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.747467 (E_RNA)
where:
Base-Base interactions energy: -33.025
where: short stacking energy: -27.267
Base-Backbone interact. energy: 0.587
local terms energy: -54.309388
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -89.320727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.320727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.320727 (E_RNA)
where:
Base-Base interactions energy: -39.202
where: short stacking energy: -24.582
Base-Backbone interact. energy: -1.017
local terms energy: -49.101392
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: 0.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -211.348901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.348901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.348901 (E_RNA)
where:
Base-Base interactions energy: -137.323
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.043
local terms energy: -73.982407
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -18.634
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: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -202.522711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.522711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.522711 (E_RNA)
where:
Base-Base interactions energy: -129.420
where: short stacking energy: -59.418
Base-Backbone interact. energy: 2.447
local terms energy: -75.549891
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -17.264
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: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -204.483657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.483657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.483657 (E_RNA)
where:
Base-Base interactions energy: -132.250
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.009
local terms energy: -72.224707
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -193.964804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.964804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.964804 (E_RNA)
where:
Base-Base interactions energy: -126.026
where: short stacking energy: -61.647
Base-Backbone interact. energy: -0.278
local terms energy: -67.660840
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -16.131
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: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -175.795570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.795570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.795570 (E_RNA)
where:
Base-Base interactions energy: -115.253
where: short stacking energy: -47.232
Base-Backbone interact. energy: -0.857
local terms energy: -59.685717
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -7.213
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: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -159.085491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.085491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.085491 (E_RNA)
where:
Base-Base interactions energy: -97.927
where: short stacking energy: -51.039
Base-Backbone interact. energy: -0.156
local terms energy: -61.003139
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -10.701
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: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -169.553762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.553762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.553762 (E_RNA)
where:
Base-Base interactions energy: -108.949
where: short stacking energy: -43.958
Base-Backbone interact. energy: -0.740
local terms energy: -59.864795
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -163.592424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.592424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.592424 (E_RNA)
where:
Base-Base interactions energy: -106.758
where: short stacking energy: -37.602
Base-Backbone interact. energy: -1.024
local terms energy: -55.809718
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -81.516353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.516353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.516353 (E_RNA)
where:
Base-Base interactions energy: -31.825
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.203
local terms energy: -49.488227
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -82.070561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070561 (E_RNA)
where:
Base-Base interactions energy: -34.092
where: short stacking energy: -34.092
Base-Backbone interact. energy: -0.017
local terms energy: -47.962164
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -222.094501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.094501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.094501 (E_RNA)
where:
Base-Base interactions energy: -142.706
where: short stacking energy: -74.059
Base-Backbone interact. energy: -0.086
local terms energy: -79.302731
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -212.272501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.272501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.272501 (E_RNA)
where:
Base-Base interactions energy: -138.145
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.008
local terms energy: -74.119843
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -20.016
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: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -208.766991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.766991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.766991 (E_RNA)
where:
Base-Base interactions energy: -133.196
where: short stacking energy: -69.284
Base-Backbone interact. energy: 0.314
local terms energy: -75.885065
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -21.282
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: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -184.670224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.670224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.670224 (E_RNA)
where:
Base-Base interactions energy: -113.329
where: short stacking energy: -51.031
Base-Backbone interact. energy: -1.714
local terms energy: -69.627270
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -190.447549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.447549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.447549 (E_RNA)
where:
Base-Base interactions energy: -126.772
where: short stacking energy: -62.007
Base-Backbone interact. energy: -0.145
local terms energy: -63.530825
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -15.044
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: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -166.802674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.802674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.802674 (E_RNA)
where:
Base-Base interactions energy: -108.714
where: short stacking energy: -52.466
Base-Backbone interact. energy: -1.000
local terms energy: -57.088249
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -170.230917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.230917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.230917 (E_RNA)
where:
Base-Base interactions energy: -110.832
where: short stacking energy: -57.256
Base-Backbone interact. energy: -0.092
local terms energy: -59.306885
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -175.335725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.335725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.335725 (E_RNA)
where:
Base-Base interactions energy: -121.979
where: short stacking energy: -49.019
Base-Backbone interact. energy: -0.236
local terms energy: -53.119997
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -8.190
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -87.305699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.305699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.305699 (E_RNA)
where:
Base-Base interactions energy: -30.935
where: short stacking energy: -21.055
Base-Backbone interact. energy: -0.206
local terms energy: -56.164174
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -83.007808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.007808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.007808 (E_RNA)
where:
Base-Base interactions energy: -32.229
where: short stacking energy: -32.229
Base-Backbone interact. energy: -0.135
local terms energy: -50.643509
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -5.165
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: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -220.614124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.614124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.614124 (E_RNA)
where:
Base-Base interactions energy: -139.832
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.102
local terms energy: -80.680227
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -214.892631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.892631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.892631 (E_RNA)
where:
Base-Base interactions energy: -133.375
where: short stacking energy: -67.435
Base-Backbone interact. energy: -0.989
local terms energy: -80.528663
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -199.588125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.588125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.588125 (E_RNA)
where:
Base-Base interactions energy: -124.250
where: short stacking energy: -68.430
Base-Backbone interact. energy: -0.001
local terms energy: -75.337082
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -201.623168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.623168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.623168 (E_RNA)
where:
Base-Base interactions energy: -129.085
where: short stacking energy: -59.194
Base-Backbone interact. energy: 1.332
local terms energy: -73.870124
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -186.849852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.849852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.849852 (E_RNA)
where:
Base-Base interactions energy: -120.710
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.003
local terms energy: -66.136911
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -15.184
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: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -177.446227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.446227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.446227 (E_RNA)
where:
Base-Base interactions energy: -115.083
where: short stacking energy: -55.199
Base-Backbone interact. energy: -0.109
local terms energy: -62.254733
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -155.942703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.942703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.942703 (E_RNA)
where:
Base-Base interactions energy: -91.686
where: short stacking energy: -39.656
Base-Backbone interact. energy: -0.046
local terms energy: -64.210781
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -10.330
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: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -147.761348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.761348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.761348 (E_RNA)
where:
Base-Base interactions energy: -92.497
where: short stacking energy: -43.929
Base-Backbone interact. energy: -0.003
local terms energy: -55.262051
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -7.909
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: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -81.976144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.976144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.976144 (E_RNA)
where:
Base-Base interactions energy: -36.715
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.194
local terms energy: -45.067427
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -74.248271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.248271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.248271 (E_RNA)
where:
Base-Base interactions energy: -24.700
where: short stacking energy: -23.909
Base-Backbone interact. energy: -0.581
local terms energy: -48.967459
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -4.249
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -215.180944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.180944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.180944 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -65.250
Base-Backbone interact. energy: -1.150
local terms energy: -80.326169
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -210.742707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.742707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.742707 (E_RNA)
where:
Base-Base interactions energy: -139.086
where: short stacking energy: -73.442
Base-Backbone interact. energy: -0.035
local terms energy: -71.621413
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -20.397
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: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -210.520132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.520132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.520132 (E_RNA)
where:
Base-Base interactions energy: -132.330
where: short stacking energy: -71.814
Base-Backbone interact. energy: -0.000
local terms energy: -78.189408
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -192.331856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.331856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.331856 (E_RNA)
where:
Base-Base interactions energy: -125.563
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.243
local terms energy: -66.526396
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -192.195997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.195997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.195997 (E_RNA)
where:
Base-Base interactions energy: -122.523
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.069
local terms energy: -69.603976
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -177.507341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.507341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.507341 (E_RNA)
where:
Base-Base interactions energy: -114.180
where: short stacking energy: -55.026
Base-Backbone interact. energy: 0.327
local terms energy: -63.654777
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -170.572956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.572956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.572956 (E_RNA)
where:
Base-Base interactions energy: -106.334
where: short stacking energy: -54.511
Base-Backbone interact. energy: -0.020
local terms energy: -64.219246
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -119.528000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.528000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.528000 (E_RNA)
where:
Base-Base interactions energy: -63.966
where: short stacking energy: -40.648
Base-Backbone interact. energy: -0.172
local terms energy: -55.390697
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -6.578
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: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -75.990383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.990383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.990383 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -27.726
Base-Backbone interact. energy: 0.071
local terms energy: -43.469343
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -1.525
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -76.689962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.689962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.689962 (E_RNA)
where:
Base-Base interactions energy: -21.870
where: short stacking energy: -21.870
Base-Backbone interact. energy: -0.032
local terms energy: -54.787725
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -213.859644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.859644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.859644 (E_RNA)
where:
Base-Base interactions energy: -140.895
where: short stacking energy: -72.280
Base-Backbone interact. energy: -0.046
local terms energy: -72.918118
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -199.613381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.613381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.613381 (E_RNA)
where:
Base-Base interactions energy: -125.606
where: short stacking energy: -63.186
Base-Backbone interact. energy: -0.058
local terms energy: -73.949190
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -16.438
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: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -208.120916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.120916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.120916 (E_RNA)
where:
Base-Base interactions energy: -133.648
where: short stacking energy: -63.114
Base-Backbone interact. energy: -0.053
local terms energy: -74.419780
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -17.647
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: 198
Temperature: 1.050000
Total energy: -180.916833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.916833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.916833 (E_RNA)
where:
Base-Base interactions energy: -115.926
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.167
local terms energy: -64.823999
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -11.955
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -182.296072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.296072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.296072 (E_RNA)
where:
Base-Base interactions energy: -117.905
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.002
local terms energy: -64.388643
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -171.483465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.483465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.483465 (E_RNA)
where:
Base-Base interactions energy: -113.750
where: short stacking energy: -43.619
Base-Backbone interact. energy: -0.028
local terms energy: -57.705469
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -172.072163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.072163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.072163 (E_RNA)
where:
Base-Base interactions energy: -105.139
where: short stacking energy: -50.020
Base-Backbone interact. energy: 0.227
local terms energy: -67.159961
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -7.666
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: 3
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -86.448038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.448038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.448038 (E_RNA)
where:
Base-Base interactions energy: -39.982
where: short stacking energy: -38.416
Base-Backbone interact. energy: -0.014
local terms energy: -46.451435
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -6.487
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: 198
Temperature: 1.300000
Total energy: -82.025218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.025218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.025218 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -33.701
Base-Backbone interact. energy: 0.018
local terms energy: -47.335951
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -84.767012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.767012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.767012 (E_RNA)
where:
Base-Base interactions energy: -28.903
where: short stacking energy: -28.903
Base-Backbone interact. energy: -0.114
local terms energy: -55.749817
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -6.858
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: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -214.263268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.263268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.263268 (E_RNA)
where:
Base-Base interactions energy: -133.925
where: short stacking energy: -67.532
Base-Backbone interact. energy: -0.767
local terms energy: -79.571891
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -214.508859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.508859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.508859 (E_RNA)
where:
Base-Base interactions energy: -139.001
where: short stacking energy: -70.866
Base-Backbone interact. energy: -0.012
local terms energy: -75.496605
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -192.727929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.727929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.727929 (E_RNA)
where:
Base-Base interactions energy: -129.064
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.089
local terms energy: -63.574248
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -188.287600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.287600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.287600 (E_RNA)
where:
Base-Base interactions energy: -121.322
where: short stacking energy: -55.050
Base-Backbone interact. energy: -0.496
local terms energy: -66.469038
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -204.039415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.039415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.039415 (E_RNA)
where:
Base-Base interactions energy: -135.746
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.023
local terms energy: -68.270720
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -20.365
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: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -172.155548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.155548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.155548 (E_RNA)
where:
Base-Base interactions energy: -94.213
where: short stacking energy: -45.040
Base-Backbone interact. energy: -0.004
local terms energy: -77.937704
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -149.724473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.724473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.724473 (E_RNA)
where:
Base-Base interactions energy: -87.910
where: short stacking energy: -48.094
Base-Backbone interact. energy: -0.002
local terms energy: -61.812423
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -14.873
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: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -87.206588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.206588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.206588 (E_RNA)
where:
Base-Base interactions energy: -34.458
where: short stacking energy: -34.458
Base-Backbone interact. energy: -0.118
local terms energy: -52.630545
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -4.583
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: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -74.290811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.290811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.290811 (E_RNA)
where:
Base-Base interactions energy: -33.320
where: short stacking energy: -21.766
Base-Backbone interact. energy: 1.071
local terms energy: -42.041943
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -7.290
flat angles C4'-P-C4' energy: -7.256
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -2.754
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: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -68.789508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.789508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.789508 (E_RNA)
where:
Base-Base interactions energy: -20.366
where: short stacking energy: -16.165
Base-Backbone interact. energy: -0.386
local terms energy: -48.036823
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -10.181
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -1.887
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: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -223.298549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.298549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.298549 (E_RNA)
where:
Base-Base interactions energy: -145.968
where: short stacking energy: -80.079
Base-Backbone interact. energy: -0.235
local terms energy: -77.095628
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -203.633237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.633237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.633237 (E_RNA)
where:
Base-Base interactions energy: -129.767
where: short stacking energy: -62.200
Base-Backbone interact. energy: -0.412
local terms energy: -73.454108
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -16.737
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: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -200.948234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.948234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.948234 (E_RNA)
where:
Base-Base interactions energy: -131.162
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.478
local terms energy: -69.307877
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -190.349878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.349878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.349878 (E_RNA)
where:
Base-Base interactions energy: -125.976
where: short stacking energy: -59.827
Base-Backbone interact. energy: -0.218
local terms energy: -64.156317
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -198.402404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.402404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.402404 (E_RNA)
where:
Base-Base interactions energy: -128.527
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.245
local terms energy: -69.630895
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -147.833694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.833694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.833694 (E_RNA)
where:
Base-Base interactions energy: -87.234
where: short stacking energy: -45.359
Base-Backbone interact. energy: -0.775
local terms energy: -59.824954
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -6.115
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: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -175.591065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.591065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.591065 (E_RNA)
where:
Base-Base interactions energy: -108.276
where: short stacking energy: -55.091
Base-Backbone interact. energy: -0.592
local terms energy: -66.722934
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -87.197332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.197332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.197332 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -35.760
Base-Backbone interact. energy: -0.885
local terms energy: -46.681726
where:
bonds (distance) C4'-P energy: -4.988
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -87.764542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.764542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.764542 (E_RNA)
where:
Base-Base interactions energy: -35.321
where: short stacking energy: -34.146
Base-Backbone interact. energy: -0.126
local terms energy: -52.317306
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: 0.540
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: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -80.770295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.770295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.770295 (E_RNA)
where:
Base-Base interactions energy: -37.447
where: short stacking energy: -36.213
Base-Backbone interact. energy: -0.117
local terms energy: -43.205829
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -2.586
tors. eta vs tors. theta energy: -5.385
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: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -218.267334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.267334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.267334 (E_RNA)
where:
Base-Base interactions energy: -143.005
where: short stacking energy: -74.088
Base-Backbone interact. energy: -0.452
local terms energy: -74.810953
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -199.864329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.864329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.864329 (E_RNA)
where:
Base-Base interactions energy: -128.898
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.001
local terms energy: -70.965641
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -197.999535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.999535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.999535 (E_RNA)
where:
Base-Base interactions energy: -126.712
where: short stacking energy: -66.718
Base-Backbone interact. energy: -0.252
local terms energy: -71.036021
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -197.900206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.900206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.900206 (E_RNA)
where:
Base-Base interactions energy: -127.985
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.057
local terms energy: -69.858720
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -20.326
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: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -176.670745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.670745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.670745 (E_RNA)
where:
Base-Base interactions energy: -111.673
where: short stacking energy: -47.828
Base-Backbone interact. energy: 3.210
local terms energy: -68.207422
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -19.961
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: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -192.321722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.321722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.321722 (E_RNA)
where:
Base-Base interactions energy: -127.511
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.544
local terms energy: -64.266850
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -13.927
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: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -158.098737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.098737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.098737 (E_RNA)
where:
Base-Base interactions energy: -99.789
where: short stacking energy: -48.895
Base-Backbone interact. energy: -0.256
local terms energy: -58.053922
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -1.102
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -87.379398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.379398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.379398 (E_RNA)
where:
Base-Base interactions energy: -29.836
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.050
local terms energy: -57.493378
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -9.934
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: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -88.729493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.729493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.729493 (E_RNA)
where:
Base-Base interactions energy: -40.516
where: short stacking energy: -40.516
Base-Backbone interact. energy: -0.048
local terms energy: -48.165867
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -10.508
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: 201
Temperature: 1.350000
Total energy: -74.134518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.134518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.134518 (E_RNA)
where:
Base-Base interactions energy: -27.331
where: short stacking energy: -27.331
Base-Backbone interact. energy: -0.236
local terms energy: -46.567882
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: 0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -213.967189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.967189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.967189 (E_RNA)
where:
Base-Base interactions energy: -138.645
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.468
local terms energy: -74.853524
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -15.699
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: 202
Temperature: 0.950000
Total energy: -204.365844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.365844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.365844 (E_RNA)
where:
Base-Base interactions energy: -125.686
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.015
local terms energy: -78.663941
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -20.175
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: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -202.245634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.245634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.245634 (E_RNA)
where:
Base-Base interactions energy: -128.939
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.357
local terms energy: -72.948739
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -192.524008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.524008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.524008 (E_RNA)
where:
Base-Base interactions energy: -121.882
where: short stacking energy: -55.999
Base-Backbone interact. energy: -0.663
local terms energy: -69.979132
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -18.021
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: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -194.899738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.899738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.899738 (E_RNA)
where:
Base-Base interactions energy: -117.324
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.231
local terms energy: -77.344392
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -187.051509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.051509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.051509 (E_RNA)
where:
Base-Base interactions energy: -117.054
where: short stacking energy: -56.712
Base-Backbone interact. energy: -0.217
local terms energy: -69.780102
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -156.752509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.752509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.752509 (E_RNA)
where:
Base-Base interactions energy: -97.865
where: short stacking energy: -36.348
Base-Backbone interact. energy: -0.259
local terms energy: -58.628551
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -7.019
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: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -97.723065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.723065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.723065 (E_RNA)
where:
Base-Base interactions energy: -44.103
where: short stacking energy: -44.103
Base-Backbone interact. energy: -0.064
local terms energy: -53.556476
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -0.407
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: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -88.819794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.819794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.819794 (E_RNA)
where:
Base-Base interactions energy: -40.837
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.016
local terms energy: -47.967116
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -7.030
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -84.222735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.222735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.222735 (E_RNA)
where:
Base-Base interactions energy: -28.183
where: short stacking energy: -28.183
Base-Backbone interact. energy: -0.112
local terms energy: -55.927634
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -7.618
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: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -215.189217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.189217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.189217 (E_RNA)
where:
Base-Base interactions energy: -136.066
where: short stacking energy: -65.305
Base-Backbone interact. energy: -0.092
local terms energy: -79.031651
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -215.970735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.970735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.970735 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.612
local terms energy: -75.084611
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -20.423
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: 203
Temperature: 1.000000
Total energy: -201.550210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.550210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.550210 (E_RNA)
where:
Base-Base interactions energy: -129.548
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.003
local terms energy: -71.998999
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -7.965
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: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -198.409829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.409829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.409829 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.386
local terms energy: -67.922394
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -14.818
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: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -190.842397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.842397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.842397 (E_RNA)
where:
Base-Base interactions energy: -122.656
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.009
local terms energy: -68.177369
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -160.870199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.870199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.870199 (E_RNA)
where:
Base-Base interactions energy: -102.868
where: short stacking energy: -47.625
Base-Backbone interact. energy: -0.038
local terms energy: -57.964587
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -154.061066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.061066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.061066 (E_RNA)
where:
Base-Base interactions energy: -97.249
where: short stacking energy: -50.365
Base-Backbone interact. energy: -0.091
local terms energy: -56.721147
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -12.806
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: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -85.225761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.225761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.225761 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.040
local terms energy: -54.256385
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -76.183578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.183578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.183578 (E_RNA)
where:
Base-Base interactions energy: -26.220
where: short stacking energy: -25.278
Base-Backbone interact. energy: -0.298
local terms energy: -49.666002
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -78.786424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.786424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.786424 (E_RNA)
where:
Base-Base interactions energy: -34.947
where: short stacking energy: -33.804
Base-Backbone interact. energy: -0.166
local terms energy: -43.673032
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -8.372
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -214.286182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.286182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.286182 (E_RNA)
where:
Base-Base interactions energy: -140.815
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.605
local terms energy: -72.865936
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -212.052965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.052965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.052965 (E_RNA)
where:
Base-Base interactions energy: -135.290
where: short stacking energy: -75.419
Base-Backbone interact. energy: -0.282
local terms energy: -76.481277
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -193.310400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.310400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.310400 (E_RNA)
where:
Base-Base interactions energy: -126.837
where: short stacking energy: -57.527
Base-Backbone interact. energy: -0.699
local terms energy: -65.773587
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -194.088423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.088423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.088423 (E_RNA)
where:
Base-Base interactions energy: -122.415
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.091
local terms energy: -71.582498
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -14.879
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: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -197.160921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.160921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.160921 (E_RNA)
where:
Base-Base interactions energy: -124.971
where: short stacking energy: -64.150
Base-Backbone interact. energy: -0.137
local terms energy: -72.052513
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -177.108412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.108412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.108412 (E_RNA)
where:
Base-Base interactions energy: -106.719
where: short stacking energy: -51.295
Base-Backbone interact. energy: -0.339
local terms energy: -70.050385
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -122.829228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.829228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.829228 (E_RNA)
where:
Base-Base interactions energy: -71.498
where: short stacking energy: -21.950
Base-Backbone interact. energy: -0.178
local terms energy: -51.152774
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -2.104
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: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -88.023129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.023129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.023129 (E_RNA)
where:
Base-Base interactions energy: -29.453
where: short stacking energy: -24.466
Base-Backbone interact. energy: -0.016
local terms energy: -58.554205
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -2.979
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: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -76.365888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.365888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.365888 (E_RNA)
where:
Base-Base interactions energy: -36.503
where: short stacking energy: -26.948
Base-Backbone interact. energy: -0.999
local terms energy: -38.864064
where:
bonds (distance) C4'-P energy: -6.485
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -8.017
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -86.220701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.220701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.220701 (E_RNA)
where:
Base-Base interactions energy: -36.142
where: short stacking energy: -29.126
Base-Backbone interact. energy: -0.170
local terms energy: -49.908342
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -2.834
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: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -217.323976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.323976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.323976 (E_RNA)
where:
Base-Base interactions energy: -137.908
where: short stacking energy: -80.553
Base-Backbone interact. energy: -0.751
local terms energy: -78.664842
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -21.373
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: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -220.730801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.730801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.730801 (E_RNA)
where:
Base-Base interactions energy: -137.602
where: short stacking energy: -75.209
Base-Backbone interact. energy: -0.413
local terms energy: -82.715885
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -201.107193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.107193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.107193 (E_RNA)
where:
Base-Base interactions energy: -128.367
where: short stacking energy: -60.439
Base-Backbone interact. energy: -0.514
local terms energy: -72.226744
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -208.101116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.101116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.101116 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.077
local terms energy: -64.502553
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -186.021597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.021597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.021597 (E_RNA)
where:
Base-Base interactions energy: -118.574
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.126
local terms energy: -67.321490
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -156.053424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.053424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.053424 (E_RNA)
where:
Base-Base interactions energy: -96.747
where: short stacking energy: -45.696
Base-Backbone interact. energy: -0.056
local terms energy: -59.250860
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -190.860318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.860318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.860318 (E_RNA)
where:
Base-Base interactions energy: -128.325
where: short stacking energy: -60.368
Base-Backbone interact. energy: -0.005
local terms energy: -62.530089
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -91.296269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.296269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.296269 (E_RNA)
where:
Base-Base interactions energy: -49.146
where: short stacking energy: -34.690
Base-Backbone interact. energy: -0.107
local terms energy: -42.043654
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -7.296
flat angles P-C4'-P energy: -4.501
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -81.339705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.339705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.339705 (E_RNA)
where:
Base-Base interactions energy: -36.015
where: short stacking energy: -25.127
Base-Backbone interact. energy: 0.240
local terms energy: -45.565253
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -73.688343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.688343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.688343 (E_RNA)
where:
Base-Base interactions energy: -27.090
where: short stacking energy: -27.090
Base-Backbone interact. energy: -0.079
local terms energy: -46.519034
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: 0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -218.474744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.474744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.474744 (E_RNA)
where:
Base-Base interactions energy: -142.251
where: short stacking energy: -77.219
Base-Backbone interact. energy: -0.282
local terms energy: -75.941685
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -19.897
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: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -219.714392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.714392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.714392 (E_RNA)
where:
Base-Base interactions energy: -143.308
where: short stacking energy: -77.656
Base-Backbone interact. energy: 0.078
local terms energy: -76.484073
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -198.506522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.506522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.506522 (E_RNA)
where:
Base-Base interactions energy: -133.323
where: short stacking energy: -64.968
Base-Backbone interact. energy: -0.752
local terms energy: -64.431434
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -203.945803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.945803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.945803 (E_RNA)
where:
Base-Base interactions energy: -129.291
where: short stacking energy: -66.159
Base-Backbone interact. energy: -0.280
local terms energy: -74.375619
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -15.930
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: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -175.134887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.134887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.134887 (E_RNA)
where:
Base-Base interactions energy: -106.954
where: short stacking energy: -52.387
Base-Backbone interact. energy: -0.148
local terms energy: -68.032969
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -177.622138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.622138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.622138 (E_RNA)
where:
Base-Base interactions energy: -110.201
where: short stacking energy: -56.191
Base-Backbone interact. energy: -0.522
local terms energy: -66.898634
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -15.863
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: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -162.870682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.870682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.870682 (E_RNA)
where:
Base-Base interactions energy: -105.590
where: short stacking energy: -47.507
Base-Backbone interact. energy: -0.701
local terms energy: -56.579584
where:
bonds (distance) C4'-P energy: -8.552
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -74.771135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.771135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.771135 (E_RNA)
where:
Base-Base interactions energy: -29.648
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.135
local terms energy: -44.987997
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -0.316
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: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -77.678638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.678638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.678638 (E_RNA)
where:
Base-Base interactions energy: -30.226
where: short stacking energy: -23.757
Base-Backbone interact. energy: -0.100
local terms energy: -47.352644
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -82.926123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.926123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.926123 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -29.658
Base-Backbone interact. energy: -0.085
local terms energy: -49.762678
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -210.324949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.324949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.324949 (E_RNA)
where:
Base-Base interactions energy: -134.269
where: short stacking energy: -69.814
Base-Backbone interact. energy: -0.005
local terms energy: -76.050673
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -220.976689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.976689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.976689 (E_RNA)
where:
Base-Base interactions energy: -140.676
where: short stacking energy: -78.941
Base-Backbone interact. energy: -0.524
local terms energy: -79.776322
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -193.803783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.803783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.803783 (E_RNA)
where:
Base-Base interactions energy: -126.459
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.098
local terms energy: -67.247271
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -198.004604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.004604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.004604 (E_RNA)
where:
Base-Base interactions energy: -125.055
where: short stacking energy: -68.516
Base-Backbone interact. energy: 0.507
local terms energy: -73.457252
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -21.396
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: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -184.194907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.194907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.194907 (E_RNA)
where:
Base-Base interactions energy: -126.022
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.081
local terms energy: -58.092185
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -171.410542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.410542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.410542 (E_RNA)
where:
Base-Base interactions energy: -109.462
where: short stacking energy: -46.972
Base-Backbone interact. energy: -0.027
local terms energy: -61.921436
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -13.008
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: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -171.752545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.752545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.752545 (E_RNA)
where:
Base-Base interactions energy: -108.221
where: short stacking energy: -54.024
Base-Backbone interact. energy: -0.023
local terms energy: -63.508497
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -14.087
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: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -105.111593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.111593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.111593 (E_RNA)
where:
Base-Base interactions energy: -46.371
where: short stacking energy: -27.288
Base-Backbone interact. energy: 1.513
local terms energy: -60.253537
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -7.091
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: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -88.561543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.561543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.561543 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -32.710
Base-Backbone interact. energy: -0.875
local terms energy: -52.987954
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -70.215401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.215401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.215401 (E_RNA)
where:
Base-Base interactions energy: -27.048
where: short stacking energy: -27.048
Base-Backbone interact. energy: -0.079
local terms energy: -43.088269
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -6.332
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -2.660
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: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -222.765573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.765573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.765573 (E_RNA)
where:
Base-Base interactions energy: -141.872
where: short stacking energy: -73.815
Base-Backbone interact. energy: -0.224
local terms energy: -80.669596
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -19.047
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: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -208.603922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.603922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.603922 (E_RNA)
where:
Base-Base interactions energy: -128.908
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.316
local terms energy: -79.379841
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -188.622526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.622526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.622526 (E_RNA)
where:
Base-Base interactions energy: -119.265
where: short stacking energy: -58.807
Base-Backbone interact. energy: -0.641
local terms energy: -68.715949
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -16.048
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: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -195.837934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.837934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.837934 (E_RNA)
where:
Base-Base interactions energy: -122.267
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.254
local terms energy: -73.316324
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -17.696
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: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -188.948850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.948850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.948850 (E_RNA)
where:
Base-Base interactions energy: -119.878
where: short stacking energy: -53.195
Base-Backbone interact. energy: 0.789
local terms energy: -69.860329
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -163.016530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.016530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.016530 (E_RNA)
where:
Base-Base interactions energy: -101.620
where: short stacking energy: -46.751
Base-Backbone interact. energy: -0.833
local terms energy: -60.563896
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -9.954
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -167.904103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.904103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.904103 (E_RNA)
where:
Base-Base interactions energy: -111.678
where: short stacking energy: -49.734
Base-Backbone interact. energy: 0.452
local terms energy: -56.677970
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -13.279
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: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -80.969662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.969662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.969662 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.233
local terms energy: -51.558996
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: 2.792
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: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -75.852301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.852301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.852301 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -26.072
Base-Backbone interact. energy: -0.066
local terms energy: -49.542054
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -75.268437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.268437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.268437 (E_RNA)
where:
Base-Base interactions energy: -31.401
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.225
local terms energy: -43.642155
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: 1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -224.246353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.246353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.246353 (E_RNA)
where:
Base-Base interactions energy: -140.952
where: short stacking energy: -74.240
Base-Backbone interact. energy: -0.002
local terms energy: -83.292158
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -200.998253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.998253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.998253 (E_RNA)
where:
Base-Base interactions energy: -134.011
where: short stacking energy: -63.162
Base-Backbone interact. energy: -0.252
local terms energy: -66.734433
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -16.277
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: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -190.340408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.340408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.340408 (E_RNA)
where:
Base-Base interactions energy: -122.156
where: short stacking energy: -67.437
Base-Backbone interact. energy: -0.590
local terms energy: -67.594790
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -19.055
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: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -193.329445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.329445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.329445 (E_RNA)
where:
Base-Base interactions energy: -123.586
where: short stacking energy: -63.208
Base-Backbone interact. energy: -0.113
local terms energy: -69.630943
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.969
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: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -187.985593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.985593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.985593 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -55.444
Base-Backbone interact. energy: -0.688
local terms energy: -60.987574
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -192.302982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.302982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.302982 (E_RNA)
where:
Base-Base interactions energy: -121.318
where: short stacking energy: -67.136
Base-Backbone interact. energy: -0.023
local terms energy: -70.961492
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -16.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -157.595282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.595282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.595282 (E_RNA)
where:
Base-Base interactions energy: -92.365
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.297
local terms energy: -64.934090
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -95.472356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.472356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.472356 (E_RNA)
where:
Base-Base interactions energy: -38.001
where: short stacking energy: -36.740
Base-Backbone interact. energy: -0.008
local terms energy: -57.462809
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -82.686630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686630 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -30.000
Base-Backbone interact. energy: -0.190
local terms energy: -50.982424
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -6.920
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: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -78.828989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.828989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.828989 (E_RNA)
where:
Base-Base interactions energy: -27.455
where: short stacking energy: -27.455
Base-Backbone interact. energy: -0.182
local terms energy: -51.191930
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -6.489
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -4.494
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: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -211.303276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.303276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.303276 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.174
local terms energy: -77.229449
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -20.515
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: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -211.181771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.181771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.181771 (E_RNA)
where:
Base-Base interactions energy: -129.162
where: short stacking energy: -72.979
Base-Backbone interact. energy: -0.003
local terms energy: -82.016019
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -189.993965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.993965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.993965 (E_RNA)
where:
Base-Base interactions energy: -125.095
where: short stacking energy: -58.052
Base-Backbone interact. energy: -0.066
local terms energy: -64.833050
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -192.619753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.619753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.619753 (E_RNA)
where:
Base-Base interactions energy: -122.796
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.389
local terms energy: -69.434999
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -182.340824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.340824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.340824 (E_RNA)
where:
Base-Base interactions energy: -117.561
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.163
local terms energy: -64.616710
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -170.167383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.167383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.167383 (E_RNA)
where:
Base-Base interactions energy: -109.915
where: short stacking energy: -49.116
Base-Backbone interact. energy: -0.200
local terms energy: -60.052493
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -170.656535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.656535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.656535 (E_RNA)
where:
Base-Base interactions energy: -108.034
where: short stacking energy: -46.982
Base-Backbone interact. energy: -0.387
local terms energy: -62.234654
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -9.966
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: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -91.900283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.900283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.900283 (E_RNA)
where:
Base-Base interactions energy: -39.913
where: short stacking energy: -25.348
Base-Backbone interact. energy: 0.571
local terms energy: -52.558333
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -74.577313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.577313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.577313 (E_RNA)
where:
Base-Base interactions energy: -28.546
where: short stacking energy: -24.993
Base-Backbone interact. energy: -0.074
local terms energy: -45.956949
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -2.816
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: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -87.226511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.226511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.226511 (E_RNA)
where:
Base-Base interactions energy: -41.996
where: short stacking energy: -36.965
Base-Backbone interact. energy: -0.204
local terms energy: -45.026412
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -7.601
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -206.502827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.502827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.502827 (E_RNA)
where:
Base-Base interactions energy: -136.631
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.761
local terms energy: -69.110887
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -211.608707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.608707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.608707 (E_RNA)
where:
Base-Base interactions energy: -132.941
where: short stacking energy: -74.019
Base-Backbone interact. energy: -0.169
local terms energy: -78.499097
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -202.217052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.217052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.217052 (E_RNA)
where:
Base-Base interactions energy: -134.406
where: short stacking energy: -62.536
Base-Backbone interact. energy: -0.025
local terms energy: -67.786420
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -20.635
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: 211
Temperature: 1.050000
Total energy: -176.635661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.635661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.635661 (E_RNA)
where:
Base-Base interactions energy: -119.069
where: short stacking energy: -46.998
Base-Backbone interact. energy: -0.240
local terms energy: -57.325836
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -184.113957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.113957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.113957 (E_RNA)
where:
Base-Base interactions energy: -116.948
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.083
local terms energy: -67.083358
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -171.046400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.046400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.046400 (E_RNA)
where:
Base-Base interactions energy: -108.629
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.294
local terms energy: -62.124092
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -145.800926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.800926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.800926 (E_RNA)
where:
Base-Base interactions energy: -87.660
where: short stacking energy: -35.305
Base-Backbone interact. energy: -0.006
local terms energy: -58.134704
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -85.981262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.981262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.981262 (E_RNA)
where:
Base-Base interactions energy: -30.311
where: short stacking energy: -23.387
Base-Backbone interact. energy: -0.188
local terms energy: -55.481986
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -84.022693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.022693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.022693 (E_RNA)
where:
Base-Base interactions energy: -27.389
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.173
local terms energy: -56.460727
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -0.289
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: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -81.901937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.901937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.901937 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -20.066
Base-Backbone interact. energy: -0.479
local terms energy: -43.376614
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -5.912
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -1.434
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: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -212.683783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.683783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.683783 (E_RNA)
where:
Base-Base interactions energy: -142.357
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.580
local terms energy: -69.747125
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -211.738132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.738132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.738132 (E_RNA)
where:
Base-Base interactions energy: -137.994
where: short stacking energy: -62.123
Base-Backbone interact. energy: -1.171
local terms energy: -72.573846
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -14.800
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: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -197.803817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.803817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.803817 (E_RNA)
where:
Base-Base interactions energy: -124.683
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.099
local terms energy: -73.021843
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -195.342073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.342073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.342073 (E_RNA)
where:
Base-Base interactions energy: -123.239
where: short stacking energy: -68.014
Base-Backbone interact. energy: -0.338
local terms energy: -71.765538
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -192.687959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.687959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.687959 (E_RNA)
where:
Base-Base interactions energy: -123.566
where: short stacking energy: -62.913
Base-Backbone interact. energy: -0.074
local terms energy: -69.047468
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -17.608
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: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -188.877003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.877003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.877003 (E_RNA)
where:
Base-Base interactions energy: -129.195
where: short stacking energy: -66.244
Base-Backbone interact. energy: -0.006
local terms energy: -59.676541
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -17.027
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -139.478071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.478071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.478071 (E_RNA)
where:
Base-Base interactions energy: -85.391
where: short stacking energy: -30.277
Base-Backbone interact. energy: -0.097
local terms energy: -53.989170
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -86.515235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.515235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.515235 (E_RNA)
where:
Base-Base interactions energy: -39.625
where: short stacking energy: -27.938
Base-Backbone interact. energy: 0.164
local terms energy: -47.054271
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -77.637893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.637893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.637893 (E_RNA)
where:
Base-Base interactions energy: -24.830
where: short stacking energy: -18.673
Base-Backbone interact. energy: -0.260
local terms energy: -52.547717
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -4.207
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: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -86.741856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.741856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.741856 (E_RNA)
where:
Base-Base interactions energy: -36.102
where: short stacking energy: -35.452
Base-Backbone interact. energy: -0.047
local terms energy: -50.593086
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -4.473
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: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -201.959293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.959293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.959293 (E_RNA)
where:
Base-Base interactions energy: -131.773
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.004
local terms energy: -70.182521
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -204.881110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.881110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.881110 (E_RNA)
where:
Base-Base interactions energy: -132.607
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.247
local terms energy: -72.026703
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -204.481522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.481522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.481522 (E_RNA)
where:
Base-Base interactions energy: -127.679
where: short stacking energy: -65.493
Base-Backbone interact. energy: -0.033
local terms energy: -76.769437
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -208.865587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.865587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.865587 (E_RNA)
where:
Base-Base interactions energy: -136.982
where: short stacking energy: -72.942
Base-Backbone interact. energy: -0.767
local terms energy: -71.116229
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -184.747579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.747579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.747579 (E_RNA)
where:
Base-Base interactions energy: -116.669
where: short stacking energy: -59.619
Base-Backbone interact. energy: -0.047
local terms energy: -68.031865
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -17.572
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: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -169.395244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.395244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.395244 (E_RNA)
where:
Base-Base interactions energy: -103.416
where: short stacking energy: -52.172
Base-Backbone interact. energy: -0.100
local terms energy: -65.879064
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -9.351
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: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -135.506847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.506847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.506847 (E_RNA)
where:
Base-Base interactions energy: -85.155
where: short stacking energy: -28.820
Base-Backbone interact. energy: -0.759
local terms energy: -49.592927
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -80.996954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.996954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.996954 (E_RNA)
where:
Base-Base interactions energy: -29.369
where: short stacking energy: -29.369
Base-Backbone interact. energy: 0.160
local terms energy: -51.788089
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -1.117
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: 3
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -86.914437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.914437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.914437 (E_RNA)
where:
Base-Base interactions energy: -28.697
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.112
local terms energy: -58.105623
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -77.091461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.091461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.091461 (E_RNA)
where:
Base-Base interactions energy: -23.393
where: short stacking energy: -23.393
Base-Backbone interact. energy: -0.324
local terms energy: -53.374965
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -214.295306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.295306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.295306 (E_RNA)
where:
Base-Base interactions energy: -135.877
where: short stacking energy: -77.811
Base-Backbone interact. energy: -0.428
local terms energy: -77.990474
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -12.445
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: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -220.105445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.105445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.105445 (E_RNA)
where:
Base-Base interactions energy: -144.202
where: short stacking energy: -75.666
Base-Backbone interact. energy: -0.002
local terms energy: -75.901913
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -203.660616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.660616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.660616 (E_RNA)
where:
Base-Base interactions energy: -127.928
where: short stacking energy: -64.494
Base-Backbone interact. energy: -0.381
local terms energy: -75.351415
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -190.375097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.375097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.375097 (E_RNA)
where:
Base-Base interactions energy: -130.784
where: short stacking energy: -70.745
Base-Backbone interact. energy: -0.650
local terms energy: -58.941086
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -14.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -187.707055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.707055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.707055 (E_RNA)
where:
Base-Base interactions energy: -122.910
where: short stacking energy: -63.287
Base-Backbone interact. energy: -0.001
local terms energy: -64.795885
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -17.268
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: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -175.182978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182978 (E_RNA)
where:
Base-Base interactions energy: -111.609
where: short stacking energy: -50.946
Base-Backbone interact. energy: -0.425
local terms energy: -63.149257
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -118.540509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.540509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.540509 (E_RNA)
where:
Base-Base interactions energy: -59.477
where: short stacking energy: -35.340
Base-Backbone interact. energy: -2.221
local terms energy: -56.842963
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -151.707267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.707267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.707267 (E_RNA)
where:
Base-Base interactions energy: -91.786
where: short stacking energy: -34.085
Base-Backbone interact. energy: -0.084
local terms energy: -59.836378
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -79.270664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.270664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.270664 (E_RNA)
where:
Base-Base interactions energy: -39.854
where: short stacking energy: -39.854
Base-Backbone interact. energy: 0.061
local terms energy: -39.477618
where:
bonds (distance) C4'-P energy: -7.822
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -3.381
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: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -77.020201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.020201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.020201 (E_RNA)
where:
Base-Base interactions energy: -29.686
where: short stacking energy: -28.105
Base-Backbone interact. energy: -0.002
local terms energy: -47.332758
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -2.333
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: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -212.899701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.899701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.899701 (E_RNA)
where:
Base-Base interactions energy: -135.067
where: short stacking energy: -75.699
Base-Backbone interact. energy: -0.315
local terms energy: -77.517968
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -214.299563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.299563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.299563 (E_RNA)
where:
Base-Base interactions energy: -138.383
where: short stacking energy: -71.289
Base-Backbone interact. energy: -0.500
local terms energy: -75.415940
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -199.976466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.976466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.976466 (E_RNA)
where:
Base-Base interactions energy: -136.483
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.071
local terms energy: -63.421838
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -196.052968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.052968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.052968 (E_RNA)
where:
Base-Base interactions energy: -127.188
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.218
local terms energy: -68.646643
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -18.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -180.922952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.922952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.922952 (E_RNA)
where:
Base-Base interactions energy: -124.354
where: short stacking energy: -51.031
Base-Backbone interact. energy: -0.636
local terms energy: -55.933502
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -12.088
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: 215
Temperature: 1.150000
Total energy: -188.765877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.765877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.765877 (E_RNA)
where:
Base-Base interactions energy: -118.034
where: short stacking energy: -57.240
Base-Backbone interact. energy: -0.270
local terms energy: -70.461309
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -104.658585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.658585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.658585 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -39.908
Base-Backbone interact. energy: -0.055
local terms energy: -64.695970
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -84.789354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789354 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.191
local terms energy: -51.928853
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -1.447
tors. eta vs tors. theta energy: -8.952
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -136.593278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.593278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.593278 (E_RNA)
where:
Base-Base interactions energy: -92.964
where: short stacking energy: -47.176
Base-Backbone interact. energy: -1.454
local terms energy: -42.175140
where:
bonds (distance) C4'-P energy: -0.449
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -5.822
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -88.514620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.514620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.514620 (E_RNA)
where:
Base-Base interactions energy: -41.648
where: short stacking energy: -36.749
Base-Backbone interact. energy: -0.155
local terms energy: -46.711821
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -202.623306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.623306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.623306 (E_RNA)
where:
Base-Base interactions energy: -131.850
where: short stacking energy: -69.230
Base-Backbone interact. energy: -0.068
local terms energy: -70.704960
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -211.897313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.897313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.897313 (E_RNA)
where:
Base-Base interactions energy: -133.439
where: short stacking energy: -66.180
Base-Backbone interact. energy: -0.589
local terms energy: -77.869129
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -18.934
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: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -193.388023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.388023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.388023 (E_RNA)
where:
Base-Base interactions energy: -115.778
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.368
local terms energy: -77.242074
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -17.982
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: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -191.675832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.675832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.675832 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -57.719
Base-Backbone interact. energy: -0.425
local terms energy: -60.326002
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -202.034230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.034230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.034230 (E_RNA)
where:
Base-Base interactions energy: -129.402
where: short stacking energy: -65.893
Base-Backbone interact. energy: -0.464
local terms energy: -72.168025
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -175.489343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.489343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.489343 (E_RNA)
where:
Base-Base interactions energy: -109.698
where: short stacking energy: -60.858
Base-Backbone interact. energy: -0.070
local terms energy: -65.721289
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -19.725
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: 216
Temperature: 1.200000
Total energy: -111.995010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.995010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.995010 (E_RNA)
where:
Base-Base interactions energy: -46.350
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.057
local terms energy: -65.588956
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -9.501
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: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -85.821650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.821650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.821650 (E_RNA)
where:
Base-Base interactions energy: -34.231
where: short stacking energy: -26.741
Base-Backbone interact. energy: 0.853
local terms energy: -52.443381
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -2.697
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: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -145.559733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.559733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.559733 (E_RNA)
where:
Base-Base interactions energy: -85.143
where: short stacking energy: -42.741
Base-Backbone interact. energy: -0.162
local terms energy: -60.254877
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -71.757425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.757425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.757425 (E_RNA)
where:
Base-Base interactions energy: -31.709
where: short stacking energy: -27.329
Base-Backbone interact. energy: 0.893
local terms energy: -40.940906
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -7.153
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -4.804
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: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -214.375468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.375468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.375468 (E_RNA)
where:
Base-Base interactions energy: -132.735
where: short stacking energy: -79.515
Base-Backbone interact. energy: -0.011
local terms energy: -81.629126
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -213.987363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.987363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.987363 (E_RNA)
where:
Base-Base interactions energy: -134.653
where: short stacking energy: -71.072
Base-Backbone interact. energy: -0.318
local terms energy: -79.016786
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -22.363
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: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -209.177267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.177267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.177267 (E_RNA)
where:
Base-Base interactions energy: -135.529
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.877
local terms energy: -72.771310
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -8.259
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: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -198.526340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.526340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.526340 (E_RNA)
where:
Base-Base interactions energy: -131.481
where: short stacking energy: -68.929
Base-Backbone interact. energy: 0.890
local terms energy: -67.935706
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -19.331
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: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -174.654305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.654305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.654305 (E_RNA)
where:
Base-Base interactions energy: -108.035
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.204
local terms energy: -66.415096
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -180.841364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.841364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.841364 (E_RNA)
where:
Base-Base interactions energy: -122.421
where: short stacking energy: -49.314
Base-Backbone interact. energy: -0.733
local terms energy: -57.687217
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -9.880
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: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -88.678033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.678033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.678033 (E_RNA)
where:
Base-Base interactions energy: -33.291
where: short stacking energy: -34.191
Base-Backbone interact. energy: -0.156
local terms energy: -55.230974
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -141.252272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.252272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.252272 (E_RNA)
where:
Base-Base interactions energy: -87.255
where: short stacking energy: -39.104
Base-Backbone interact. energy: -0.063
local terms energy: -53.934597
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -6.316
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: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -77.889612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.889612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.889612 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -27.135
Base-Backbone interact. energy: -0.037
local terms energy: -50.717552
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -123.168182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.168182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.168182 (E_RNA)
where:
Base-Base interactions energy: -72.957
where: short stacking energy: -34.087
Base-Backbone interact. energy: 1.225
local terms energy: -51.435699
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -9.465
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -223.192564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.192564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.192564 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -74.196
Base-Backbone interact. energy: 0.094
local terms energy: -78.180996
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -20.621
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: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -216.152035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.152035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.152035 (E_RNA)
where:
Base-Base interactions energy: -140.372
where: short stacking energy: -74.067
Base-Backbone interact. energy: -0.089
local terms energy: -75.690954
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -206.827442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.827442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.827442 (E_RNA)
where:
Base-Base interactions energy: -133.862
where: short stacking energy: -54.488
Base-Backbone interact. energy: -0.360
local terms energy: -72.605655
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -204.612264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.612264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.612264 (E_RNA)
where:
Base-Base interactions energy: -139.509
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.001
local terms energy: -65.103161
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -193.813787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.813787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.813787 (E_RNA)
where:
Base-Base interactions energy: -121.503
where: short stacking energy: -59.894
Base-Backbone interact. energy: 1.201
local terms energy: -73.511796
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -17.799
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: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -186.694938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.694938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.694938 (E_RNA)
where:
Base-Base interactions energy: -132.782
where: short stacking energy: -52.079
Base-Backbone interact. energy: -0.017
local terms energy: -53.895469
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -8.326
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: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -137.779932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.779932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.779932 (E_RNA)
where:
Base-Base interactions energy: -79.623
where: short stacking energy: -46.810
Base-Backbone interact. energy: -0.095
local terms energy: -58.062797
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -7.809
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: 218
Temperature: 1.250000
Total energy: -82.711467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.711467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.711467 (E_RNA)
where:
Base-Base interactions energy: -32.496
where: short stacking energy: -31.585
Base-Backbone interact. energy: -0.801
local terms energy: -49.414642
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -157.025690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.025690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.025690 (E_RNA)
where:
Base-Base interactions energy: -97.321
where: short stacking energy: -55.890
Base-Backbone interact. energy: -0.045
local terms energy: -59.659587
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -8.317
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: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -88.963898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.963898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.963898 (E_RNA)
where:
Base-Base interactions energy: -39.636
where: short stacking energy: -35.969
Base-Backbone interact. energy: -0.230
local terms energy: -49.097471
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -218.818808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.818808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.818808 (E_RNA)
where:
Base-Base interactions energy: -137.323
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.043
local terms energy: -81.453357
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -213.377405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.377405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.377405 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -72.550
Base-Backbone interact. energy: -0.015
local terms energy: -80.596396
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -178.165613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.165613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.165613 (E_RNA)
where:
Base-Base interactions energy: -113.707
where: short stacking energy: -41.613
Base-Backbone interact. energy: -0.287
local terms energy: -64.171156
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -10.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -208.498263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.498263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.498263 (E_RNA)
where:
Base-Base interactions energy: -133.043
where: short stacking energy: -71.074
Base-Backbone interact. energy: -0.298
local terms energy: -75.157842
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -188.421618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.421618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.421618 (E_RNA)
where:
Base-Base interactions energy: -118.586
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.121
local terms energy: -69.715250
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -15.900
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: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -180.710125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.710125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.710125 (E_RNA)
where:
Base-Base interactions energy: -120.880
where: short stacking energy: -55.240
Base-Backbone interact. energy: -0.472
local terms energy: -59.358804
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -13.724
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: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -163.736533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.736533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.736533 (E_RNA)
where:
Base-Base interactions energy: -109.462
where: short stacking energy: -49.202
Base-Backbone interact. energy: -0.075
local terms energy: -54.199751
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -98.202433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.202433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.202433 (E_RNA)
where:
Base-Base interactions energy: -43.646
where: short stacking energy: -15.095
Base-Backbone interact. energy: 0.168
local terms energy: -54.724393
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -2.283
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: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -78.596442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.596442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.596442 (E_RNA)
where:
Base-Base interactions energy: -33.585
where: short stacking energy: -28.281
Base-Backbone interact. energy: 0.238
local terms energy: -45.249500
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -77.500889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.500889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.500889 (E_RNA)
where:
Base-Base interactions energy: -33.263
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.790
local terms energy: -43.448431
where:
bonds (distance) C4'-P energy: -7.462
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -218.902526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.902526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.902526 (E_RNA)
where:
Base-Base interactions energy: -142.031
where: short stacking energy: -73.018
Base-Backbone interact. energy: 0.488
local terms energy: -77.360102
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -211.298101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.298101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.298101 (E_RNA)
where:
Base-Base interactions energy: -131.680
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.012
local terms energy: -79.606045
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -206.330233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.330233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.330233 (E_RNA)
where:
Base-Base interactions energy: -130.952
where: short stacking energy: -62.837
Base-Backbone interact. energy: -0.424
local terms energy: -74.954388
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -199.233889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.233889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.233889 (E_RNA)
where:
Base-Base interactions energy: -133.310
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.055
local terms energy: -65.868800
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -14.307
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: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -196.132638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.132638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.132638 (E_RNA)
where:
Base-Base interactions energy: -131.753
where: short stacking energy: -57.944
Base-Backbone interact. energy: -0.074
local terms energy: -64.305434
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -183.619917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.619917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.619917 (E_RNA)
where:
Base-Base interactions energy: -112.697
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.048
local terms energy: -70.875163
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -168.998157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.998157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.998157 (E_RNA)
where:
Base-Base interactions energy: -111.282
where: short stacking energy: -47.354
Base-Backbone interact. energy: -0.045
local terms energy: -57.670873
where:
bonds (distance) C4'-P energy: -6.874
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -92.031451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.031451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.031451 (E_RNA)
where:
Base-Base interactions energy: -37.392
where: short stacking energy: -37.392
Base-Backbone interact. energy: -0.752
local terms energy: -53.887830
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -1.518
tors. eta vs tors. theta energy: -6.346
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: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -75.571798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.571798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.571798 (E_RNA)
where:
Base-Base interactions energy: -31.278
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.486
local terms energy: -43.807690
where:
bonds (distance) C4'-P energy: -7.364
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -6.836
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -4.738
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: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -75.632336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.632336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.632336 (E_RNA)
where:
Base-Base interactions energy: -25.184
where: short stacking energy: -25.170
Base-Backbone interact. energy: -0.045
local terms energy: -50.403291
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -8.197
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: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -221.900901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.900901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.900901 (E_RNA)
where:
Base-Base interactions energy: -142.798
where: short stacking energy: -78.773
Base-Backbone interact. energy: -0.567
local terms energy: -78.536101
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -207.170901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.170901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.170901 (E_RNA)
where:
Base-Base interactions energy: -134.252
where: short stacking energy: -68.618
Base-Backbone interact. energy: -0.419
local terms energy: -72.499617
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -208.130064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.130064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.130064 (E_RNA)
where:
Base-Base interactions energy: -134.333
where: short stacking energy: -71.293
Base-Backbone interact. energy: -1.021
local terms energy: -72.775673
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -20.173
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: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -190.297438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.297438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.297438 (E_RNA)
where:
Base-Base interactions energy: -122.221
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.131
local terms energy: -67.946170
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -191.547724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.547724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.547724 (E_RNA)
where:
Base-Base interactions energy: -131.347
where: short stacking energy: -60.594
Base-Backbone interact. energy: -0.223
local terms energy: -59.977974
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -187.546883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.546883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.546883 (E_RNA)
where:
Base-Base interactions energy: -117.181
where: short stacking energy: -65.549
Base-Backbone interact. energy: -0.100
local terms energy: -70.266271
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -154.180744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.180744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.180744 (E_RNA)
where:
Base-Base interactions energy: -90.304
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.016
local terms energy: -63.860908
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -93.927798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.927798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.927798 (E_RNA)
where:
Base-Base interactions energy: -42.715
where: short stacking energy: -34.895
Base-Backbone interact. energy: -0.049
local terms energy: -51.164015
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -81.057181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.057181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.057181 (E_RNA)
where:
Base-Base interactions energy: -40.360
where: short stacking energy: -37.193
Base-Backbone interact. energy: -0.202
local terms energy: -40.495770
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -6.685
flat angles P-C4'-P energy: -5.921
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: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -74.036773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.036773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.036773 (E_RNA)
where:
Base-Base interactions energy: -25.960
where: short stacking energy: -25.960
Base-Backbone interact. energy: -0.388
local terms energy: -47.688230
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -9.311
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -212.894165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.894165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.894165 (E_RNA)
where:
Base-Base interactions energy: -132.942
where: short stacking energy: -72.180
Base-Backbone interact. energy: -0.558
local terms energy: -79.393725
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -213.060880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.060880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.060880 (E_RNA)
where:
Base-Base interactions energy: -136.956
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.005
local terms energy: -76.099251
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -21.865
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: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -200.394621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.394621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.394621 (E_RNA)
where:
Base-Base interactions energy: -128.343
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.448
local terms energy: -71.603858
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -18.895
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: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -203.495057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.495057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.495057 (E_RNA)
where:
Base-Base interactions energy: -131.849
where: short stacking energy: -72.425
Base-Backbone interact. energy: -0.576
local terms energy: -71.070033
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -191.680368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.680368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.680368 (E_RNA)
where:
Base-Base interactions energy: -123.403
where: short stacking energy: -58.316
Base-Backbone interact. energy: -0.189
local terms energy: -68.088372
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -14.498
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: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -185.610804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.610804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.610804 (E_RNA)
where:
Base-Base interactions energy: -114.296
where: short stacking energy: -61.600
Base-Backbone interact. energy: 0.704
local terms energy: -72.018031
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -15.746
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -94.630925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.630925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.630925 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -36.036
Base-Backbone interact. energy: -0.174
local terms energy: -58.420816
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -130.944277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.944277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.944277 (E_RNA)
where:
Base-Base interactions energy: -72.948
where: short stacking energy: -35.004
Base-Backbone interact. energy: 1.475
local terms energy: -59.471754
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -78.573261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.573261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.573261 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.574
local terms energy: -41.106427
where:
bonds (distance) C4'-P energy: -6.248
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: 0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -72.220924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.220924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.220924 (E_RNA)
where:
Base-Base interactions energy: -25.628
where: short stacking energy: -25.628
Base-Backbone interact. energy: -0.166
local terms energy: -46.426954
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: 2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -206.021882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.021882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.021882 (E_RNA)
where:
Base-Base interactions energy: -128.038
where: short stacking energy: -65.915
Base-Backbone interact. energy: -0.741
local terms energy: -77.243354
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -8.284
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: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -200.144842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.144842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.144842 (E_RNA)
where:
Base-Base interactions energy: -126.059
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.003
local terms energy: -74.082615
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -208.870299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.870299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.870299 (E_RNA)
where:
Base-Base interactions energy: -128.842
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.030
local terms energy: -79.997986
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -20.895
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: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -215.111845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.111845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.111845 (E_RNA)
where:
Base-Base interactions energy: -138.148
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.015
local terms energy: -76.948443
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -190.062796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.062796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.062796 (E_RNA)
where:
Base-Base interactions energy: -120.795
where: short stacking energy: -63.277
Base-Backbone interact. energy: -0.009
local terms energy: -69.258500
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -162.711873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.711873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.711873 (E_RNA)
where:
Base-Base interactions energy: -94.321
where: short stacking energy: -51.309
Base-Backbone interact. energy: -0.246
local terms energy: -68.144580
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -104.240855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.240855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.240855 (E_RNA)
where:
Base-Base interactions energy: -41.859
where: short stacking energy: -41.859
Base-Backbone interact. energy: -0.052
local terms energy: -62.330229
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -4.787
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: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -108.713916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.713916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.713916 (E_RNA)
where:
Base-Base interactions energy: -65.683
where: short stacking energy: -33.481
Base-Backbone interact. energy: -0.326
local terms energy: -42.705566
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -78.794602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.794602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.794602 (E_RNA)
where:
Base-Base interactions energy: -28.111
where: short stacking energy: -28.111
Base-Backbone interact. energy: -0.190
local terms energy: -50.493353
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -83.923934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.923934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.923934 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -32.816
Base-Backbone interact. energy: -0.097
local terms energy: -51.011055
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -203.019682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.019682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.019682 (E_RNA)
where:
Base-Base interactions energy: -132.827
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.111
local terms energy: -70.081270
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -208.233231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.233231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.233231 (E_RNA)
where:
Base-Base interactions energy: -137.053
where: short stacking energy: -62.185
Base-Backbone interact. energy: -0.879
local terms energy: -70.301441
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -204.757539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.757539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.757539 (E_RNA)
where:
Base-Base interactions energy: -131.930
where: short stacking energy: -67.798
Base-Backbone interact. energy: -0.239
local terms energy: -72.589433
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -17.334
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: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -203.207702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.207702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.207702 (E_RNA)
where:
Base-Base interactions energy: -125.354
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.175
local terms energy: -77.679123
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -21.834
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: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -175.802218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.802218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.802218 (E_RNA)
where:
Base-Base interactions energy: -113.910
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.075
local terms energy: -61.817740
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -152.123856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.123856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.123856 (E_RNA)
where:
Base-Base interactions energy: -97.061
where: short stacking energy: -44.613
Base-Backbone interact. energy: -0.127
local terms energy: -54.935477
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -8.887
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: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -93.535694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.535694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.535694 (E_RNA)
where:
Base-Base interactions energy: -38.434
where: short stacking energy: -35.265
Base-Backbone interact. energy: -0.237
local terms energy: -54.865523
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -94.146384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146384 (E_RNA)
where:
Base-Base interactions energy: -45.082
where: short stacking energy: -45.082
Base-Backbone interact. energy: -0.082
local terms energy: -48.982276
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -7.711
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -85.283708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.283708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.283708 (E_RNA)
where:
Base-Base interactions energy: -33.320
where: short stacking energy: -33.320
Base-Backbone interact. energy: -0.198
local terms energy: -51.765501
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -71.696946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.696946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.696946 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -27.778
Base-Backbone interact. energy: -0.053
local terms energy: -36.700152
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -7.635
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: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -206.889537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.889537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.889537 (E_RNA)
where:
Base-Base interactions energy: -129.142
where: short stacking energy: -67.210
Base-Backbone interact. energy: -0.461
local terms energy: -77.286050
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -206.016645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.016645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.016645 (E_RNA)
where:
Base-Base interactions energy: -131.869
where: short stacking energy: -66.907
Base-Backbone interact. energy: -0.043
local terms energy: -74.105023
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -17.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -194.893627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.893627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.893627 (E_RNA)
where:
Base-Base interactions energy: -123.285
where: short stacking energy: -65.261
Base-Backbone interact. energy: 0.169
local terms energy: -71.777077
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -196.540568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.540568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.540568 (E_RNA)
where:
Base-Base interactions energy: -127.914
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.038
local terms energy: -68.588658
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -16.174
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: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -185.418989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.418989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.418989 (E_RNA)
where:
Base-Base interactions energy: -120.755
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.008
local terms energy: -64.656061
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -17.316
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: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -173.430789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.430789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.430789 (E_RNA)
where:
Base-Base interactions energy: -116.225
where: short stacking energy: -40.756
Base-Backbone interact. energy: -0.291
local terms energy: -56.915089
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -86.829260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.829260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.829260 (E_RNA)
where:
Base-Base interactions energy: -32.904
where: short stacking energy: -32.199
Base-Backbone interact. energy: -0.140
local terms energy: -53.785322
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -1.993
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: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -77.845038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.845038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.845038 (E_RNA)
where:
Base-Base interactions energy: -23.637
where: short stacking energy: -23.637
Base-Backbone interact. energy: -0.257
local terms energy: -53.950691
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -81.176376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.176376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.176376 (E_RNA)
where:
Base-Base interactions energy: -27.070
where: short stacking energy: -27.070
Base-Backbone interact. energy: -0.341
local terms energy: -53.765046
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -6.825
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: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -69.687865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.687865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.687865 (E_RNA)
where:
Base-Base interactions energy: -26.156
where: short stacking energy: -23.241
Base-Backbone interact. energy: 0.923
local terms energy: -44.454358
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -1.991
tors. eta vs tors. theta energy: 1.192
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: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -215.216951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.216951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.216951 (E_RNA)
where:
Base-Base interactions energy: -137.340
where: short stacking energy: -69.937
Base-Backbone interact. energy: -0.005
local terms energy: -77.871683
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -19.503
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: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -209.186710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.186710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.186710 (E_RNA)
where:
Base-Base interactions energy: -132.082
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.519
local terms energy: -76.586116
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -195.728275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.728275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.728275 (E_RNA)
where:
Base-Base interactions energy: -123.162
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.924
local terms energy: -71.641830
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -15.709
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: 226
Temperature: 1.050000
Total energy: -197.946717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.946717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.946717 (E_RNA)
where:
Base-Base interactions energy: -128.415
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.358
local terms energy: -69.174379
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -13.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -172.651625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.651625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.651625 (E_RNA)
where:
Base-Base interactions energy: -113.717
where: short stacking energy: -60.108
Base-Backbone interact. energy: -0.122
local terms energy: -58.812686
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -2.357
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -182.862071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.862071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862071 (E_RNA)
where:
Base-Base interactions energy: -119.226
where: short stacking energy: -58.826
Base-Backbone interact. energy: -0.034
local terms energy: -63.602681
where:
bonds (distance) C4'-P energy: -6.663
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -17.592
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: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -87.725073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.725073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.725073 (E_RNA)
where:
Base-Base interactions energy: -32.767
where: short stacking energy: -32.767
Base-Backbone interact. energy: -0.113
local terms energy: -54.845618
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -78.262195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.262195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.262195 (E_RNA)
where:
Base-Base interactions energy: -35.164
where: short stacking energy: -34.107
Base-Backbone interact. energy: 1.105
local terms energy: -44.202949
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -5.115
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -86.546569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.546569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.546569 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -25.899
Base-Backbone interact. energy: 0.172
local terms energy: -55.360716
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -84.306286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.306286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.306286 (E_RNA)
where:
Base-Base interactions energy: -30.780
where: short stacking energy: -30.780
Base-Backbone interact. energy: -0.113
local terms energy: -53.412738
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -6.006
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: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -219.679885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.679885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.679885 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -73.291
Base-Backbone interact. energy: -0.493
local terms energy: -77.704964
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -215.606560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.606560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.606560 (E_RNA)
where:
Base-Base interactions energy: -139.890
where: short stacking energy: -72.505
Base-Backbone interact. energy: -0.014
local terms energy: -75.702330
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -196.791966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.791966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.791966 (E_RNA)
where:
Base-Base interactions energy: -129.784
where: short stacking energy: -62.320
Base-Backbone interact. energy: -0.020
local terms energy: -66.988200
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -15.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -206.328137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.328137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.328137 (E_RNA)
where:
Base-Base interactions energy: -129.815
where: short stacking energy: -65.048
Base-Backbone interact. energy: -0.393
local terms energy: -76.119572
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -18.960
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: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -174.086904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.086904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.086904 (E_RNA)
where:
Base-Base interactions energy: -115.499
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.296
local terms energy: -58.292354
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -181.460201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.460201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.460201 (E_RNA)
where:
Base-Base interactions energy: -116.289
where: short stacking energy: -55.243
Base-Backbone interact. energy: -0.001
local terms energy: -65.170192
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -94.650248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.650248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.650248 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -39.038
Base-Backbone interact. energy: -0.117
local terms energy: -55.495380
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -88.355077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.355077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.355077 (E_RNA)
where:
Base-Base interactions energy: -33.805
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.127
local terms energy: -54.422873
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.377
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: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -76.906626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.906626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.906626 (E_RNA)
where:
Base-Base interactions energy: -25.533
where: short stacking energy: -20.978
Base-Backbone interact. energy: -0.531
local terms energy: -50.842414
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -0.698
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: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -71.826598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.826598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.826598 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -21.994
Base-Backbone interact. energy: -1.317
local terms energy: -41.372160
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: 2.474
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: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -215.322597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.322597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.322597 (E_RNA)
where:
Base-Base interactions energy: -135.407
where: short stacking energy: -72.267
Base-Backbone interact. energy: -0.575
local terms energy: -79.340257
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -18.052
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: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -212.017392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.017392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.017392 (E_RNA)
where:
Base-Base interactions energy: -132.925
where: short stacking energy: -76.991
Base-Backbone interact. energy: -2.150
local terms energy: -76.942590
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -20.434
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: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -201.312709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.312709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.312709 (E_RNA)
where:
Base-Base interactions energy: -125.823
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.006
local terms energy: -75.483670
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -11.538
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: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -188.861533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.861533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.861533 (E_RNA)
where:
Base-Base interactions energy: -118.482
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.006
local terms energy: -70.374045
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -184.044626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.044626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.044626 (E_RNA)
where:
Base-Base interactions energy: -114.714
where: short stacking energy: -55.762
Base-Backbone interact. energy: -0.374
local terms energy: -68.956532
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -18.580
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: 2
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -143.624042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.624042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.624042 (E_RNA)
where:
Base-Base interactions energy: -90.727
where: short stacking energy: -41.626
Base-Backbone interact. energy: -0.032
local terms energy: -52.864641
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -79.926889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.926889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.926889 (E_RNA)
where:
Base-Base interactions energy: -26.013
where: short stacking energy: -26.013
Base-Backbone interact. energy: -0.008
local terms energy: -53.905075
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -4.017
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: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -80.506642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.506642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.506642 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -29.603
Base-Backbone interact. energy: -0.187
local terms energy: -50.716634
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -3.722
tors. eta vs tors. theta energy: -6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -82.354259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.354259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.354259 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -33.774
Base-Backbone interact. energy: -0.195
local terms energy: -48.385078
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 0.945
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: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -76.925971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.925971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.925971 (E_RNA)
where:
Base-Base interactions energy: -27.384
where: short stacking energy: -27.182
Base-Backbone interact. energy: 2.219
local terms energy: -51.760887
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -217.430664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.430664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.430664 (E_RNA)
where:
Base-Base interactions energy: -134.050
where: short stacking energy: -75.126
Base-Backbone interact. energy: -0.001
local terms energy: -83.379828
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -217.044575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.044575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.044575 (E_RNA)
where:
Base-Base interactions energy: -135.846
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.320
local terms energy: -80.877916
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -19.417
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: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -205.772977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.772977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.772977 (E_RNA)
where:
Base-Base interactions energy: -137.268
where: short stacking energy: -68.312
Base-Backbone interact. energy: -0.954
local terms energy: -67.550950
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -204.591698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.591698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.591698 (E_RNA)
where:
Base-Base interactions energy: -128.618
where: short stacking energy: -67.071
Base-Backbone interact. energy: -0.105
local terms energy: -75.869274
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -22.023
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: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -166.333105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.333105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.333105 (E_RNA)
where:
Base-Base interactions energy: -102.540
where: short stacking energy: -40.129
Base-Backbone interact. energy: -0.132
local terms energy: -63.661447
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -7.898
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: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -177.615521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.615521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.615521 (E_RNA)
where:
Base-Base interactions energy: -114.142
where: short stacking energy: -53.256
Base-Backbone interact. energy: -0.093
local terms energy: -63.380231
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -11.118
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: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -129.538955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.538955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.538955 (E_RNA)
where:
Base-Base interactions energy: -71.490
where: short stacking energy: -38.743
Base-Backbone interact. energy: -0.213
local terms energy: -57.835744
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -2.070
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: 229
Temperature: 1.250000
Total energy: -90.458662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.458662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.458662 (E_RNA)
where:
Base-Base interactions energy: -36.947
where: short stacking energy: -26.043
Base-Backbone interact. energy: -0.311
local terms energy: -53.200859
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: 3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -90.357571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.357571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.357571 (E_RNA)
where:
Base-Base interactions energy: -31.494
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.115
local terms energy: -58.748730
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -78.031611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.031611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.031611 (E_RNA)
where:
Base-Base interactions energy: -28.817
where: short stacking energy: -19.946
Base-Backbone interact. energy: -1.207
local terms energy: -48.008124
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -205.571424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.571424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.571424 (E_RNA)
where:
Base-Base interactions energy: -131.753
where: short stacking energy: -67.537
Base-Backbone interact. energy: -0.027
local terms energy: -73.792037
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -19.588
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: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -209.794177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.794177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.794177 (E_RNA)
where:
Base-Base interactions energy: -135.817
where: short stacking energy: -67.973
Base-Backbone interact. energy: 0.593
local terms energy: -74.569750
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -205.272331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.272331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.272331 (E_RNA)
where:
Base-Base interactions energy: -134.247
where: short stacking energy: -66.874
Base-Backbone interact. energy: -0.101
local terms energy: -70.924516
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -198.751733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.751733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.751733 (E_RNA)
where:
Base-Base interactions energy: -124.726
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.034
local terms energy: -73.992366
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.706
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: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -188.978256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.978256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.978256 (E_RNA)
where:
Base-Base interactions energy: -121.644
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.170
local terms energy: -67.164498
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -156.201196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.201196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.201196 (E_RNA)
where:
Base-Base interactions energy: -97.941
where: short stacking energy: -48.597
Base-Backbone interact. energy: -0.056
local terms energy: -58.204307
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -134.071336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.071336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.071336 (E_RNA)
where:
Base-Base interactions energy: -81.128
where: short stacking energy: -30.526
Base-Backbone interact. energy: -0.342
local terms energy: -52.601454
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -4.717
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: 230
Temperature: 1.250000
Total energy: -90.077313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.077313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.077313 (E_RNA)
where:
Base-Base interactions energy: -34.195
where: short stacking energy: -30.514
Base-Backbone interact. energy: -1.151
local terms energy: -54.731050
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -82.182628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182628 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -35.321
Base-Backbone interact. energy: -0.140
local terms energy: -46.922069
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -69.740917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.740917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.740917 (E_RNA)
where:
Base-Base interactions energy: -18.912
where: short stacking energy: -18.912
Base-Backbone interact. energy: -0.038
local terms energy: -50.790330
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -1.373
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: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -217.354307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.354307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.354307 (E_RNA)
where:
Base-Base interactions energy: -137.555
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.000
local terms energy: -79.798454
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -209.237147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.237147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.237147 (E_RNA)
where:
Base-Base interactions energy: -137.116
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.004
local terms energy: -72.116298
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -14.766
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: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -200.976529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.976529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.976529 (E_RNA)
where:
Base-Base interactions energy: -134.193
where: short stacking energy: -67.253
Base-Backbone interact. energy: -0.336
local terms energy: -66.447108
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -198.009144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.009144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.009144 (E_RNA)
where:
Base-Base interactions energy: -128.454
where: short stacking energy: -50.483
Base-Backbone interact. energy: -0.107
local terms energy: -69.448378
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -207.506715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.506715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.506715 (E_RNA)
where:
Base-Base interactions energy: -131.591
where: short stacking energy: -67.393
Base-Backbone interact. energy: -0.247
local terms energy: -75.669003
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -179.908387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.908387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.908387 (E_RNA)
where:
Base-Base interactions energy: -112.429
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.300
local terms energy: -67.179933
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -147.870650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.870650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.870650 (E_RNA)
where:
Base-Base interactions energy: -81.836
where: short stacking energy: -39.347
Base-Backbone interact. energy: -1.185
local terms energy: -64.849730
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -11.548
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: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -81.317007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.317007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.317007 (E_RNA)
where:
Base-Base interactions energy: -36.463
where: short stacking energy: -26.765
Base-Backbone interact. energy: -1.121
local terms energy: -43.732829
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -76.934634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.934634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.934634 (E_RNA)
where:
Base-Base interactions energy: -26.762
where: short stacking energy: -26.762
Base-Backbone interact. energy: -0.757
local terms energy: -49.415213
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: 1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -72.311942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.311942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.311942 (E_RNA)
where:
Base-Base interactions energy: -28.230
where: short stacking energy: -20.771
Base-Backbone interact. energy: -0.241
local terms energy: -43.840690
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: 0.426
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: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -210.712363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.712363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.712363 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.118
local terms energy: -69.303971
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -17.179
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: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -215.704378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.704378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.704378 (E_RNA)
where:
Base-Base interactions energy: -136.729
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.043
local terms energy: -78.932306
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -203.570226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.570226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.570226 (E_RNA)
where:
Base-Base interactions energy: -127.343
where: short stacking energy: -61.719
Base-Backbone interact. energy: -0.061
local terms energy: -76.165388
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -19.984
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: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -193.506594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.506594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.506594 (E_RNA)
where:
Base-Base interactions energy: -131.163
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.642
local terms energy: -61.701351
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -8.615
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -188.255134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.255134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.255134 (E_RNA)
where:
Base-Base interactions energy: -119.911
where: short stacking energy: -58.093
Base-Backbone interact. energy: -0.108
local terms energy: -68.236130
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -178.150711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.150711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.150711 (E_RNA)
where:
Base-Base interactions energy: -109.643
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.001
local terms energy: -68.507310
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -160.274084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.274084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.274084 (E_RNA)
where:
Base-Base interactions energy: -97.554
where: short stacking energy: -55.804
Base-Backbone interact. energy: -0.137
local terms energy: -62.582920
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -81.127564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.127564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.127564 (E_RNA)
where:
Base-Base interactions energy: -33.444
where: short stacking energy: -33.003
Base-Backbone interact. energy: -0.142
local terms energy: -47.541546
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -74.325925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.325925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.325925 (E_RNA)
where:
Base-Base interactions energy: -27.915
where: short stacking energy: -24.066
Base-Backbone interact. energy: -0.094
local terms energy: -46.317673
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: 2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -82.298491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.298491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.298491 (E_RNA)
where:
Base-Base interactions energy: -31.507
where: short stacking energy: -26.765
Base-Backbone interact. energy: -0.022
local terms energy: -50.768987
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -210.114429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.114429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.114429 (E_RNA)
where:
Base-Base interactions energy: -132.179
where: short stacking energy: -61.220
Base-Backbone interact. energy: 0.409
local terms energy: -78.344461
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -16.531
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: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -213.126065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.126065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.126065 (E_RNA)
where:
Base-Base interactions energy: -127.036
where: short stacking energy: -71.121
Base-Backbone interact. energy: 0.366
local terms energy: -86.455985
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -14.982
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: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -200.682568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.682568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.682568 (E_RNA)
where:
Base-Base interactions energy: -129.526
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.109
local terms energy: -71.047623
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -200.251205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.251205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.251205 (E_RNA)
where:
Base-Base interactions energy: -125.682
where: short stacking energy: -64.224
Base-Backbone interact. energy: -0.788
local terms energy: -73.781468
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -20.607
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: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -189.920311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.920311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.920311 (E_RNA)
where:
Base-Base interactions energy: -122.400
where: short stacking energy: -55.519
Base-Backbone interact. energy: -0.099
local terms energy: -67.421526
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -176.763267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.763267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.763267 (E_RNA)
where:
Base-Base interactions energy: -105.901
where: short stacking energy: -53.893
Base-Backbone interact. energy: -0.212
local terms energy: -70.649759
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -18.746
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: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -189.831982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.831982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.831982 (E_RNA)
where:
Base-Base interactions energy: -124.631
where: short stacking energy: -59.896
Base-Backbone interact. energy: -0.005
local terms energy: -65.196157
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -19.431
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: 3
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -91.408526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.408526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.408526 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -36.908
Base-Backbone interact. energy: 0.838
local terms energy: -54.307081
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -10.166
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: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -91.376061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.376061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.376061 (E_RNA)
where:
Base-Base interactions energy: -43.755
where: short stacking energy: -43.062
Base-Backbone interact. energy: -0.099
local terms energy: -47.521989
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -5.511
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: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -83.322291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.322291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.322291 (E_RNA)
where:
Base-Base interactions energy: -32.264
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.473
local terms energy: -50.585512
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -210.744103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.744103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.744103 (E_RNA)
where:
Base-Base interactions energy: -135.011
where: short stacking energy: -70.482
Base-Backbone interact. energy: -0.005
local terms energy: -75.728044
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -215.693538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.693538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.693538 (E_RNA)
where:
Base-Base interactions energy: -134.834
where: short stacking energy: -70.031
Base-Backbone interact. energy: -0.024
local terms energy: -80.835282
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -8.945
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: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -196.945938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.945938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.945938 (E_RNA)
where:
Base-Base interactions energy: -129.253
where: short stacking energy: -72.574
Base-Backbone interact. energy: -0.004
local terms energy: -67.689363
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -17.169
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: 9
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -188.713666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.713666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.713666 (E_RNA)
where:
Base-Base interactions energy: -120.231
where: short stacking energy: -52.580
Base-Backbone interact. energy: -0.761
local terms energy: -67.721616
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -11.828
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: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -182.057390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.057390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.057390 (E_RNA)
where:
Base-Base interactions energy: -118.153
where: short stacking energy: -52.030
Base-Backbone interact. energy: 0.667
local terms energy: -64.571052
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -12.977
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: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -165.589012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.589012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.589012 (E_RNA)
where:
Base-Base interactions energy: -106.682
where: short stacking energy: -43.176
Base-Backbone interact. energy: -0.074
local terms energy: -58.833925
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -105.033999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.033999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.033999 (E_RNA)
where:
Base-Base interactions energy: -45.012
where: short stacking energy: -45.012
Base-Backbone interact. energy: -0.053
local terms energy: -59.969016
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -169.048640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.048640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.048640 (E_RNA)
where:
Base-Base interactions energy: -115.827
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.397
local terms energy: -52.824111
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -0.624
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -12.797
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: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -91.028972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.028972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.028972 (E_RNA)
where:
Base-Base interactions energy: -31.754
where: short stacking energy: -31.676
Base-Backbone interact. energy: -0.043
local terms energy: -59.231962
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -81.736951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.736951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.736951 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -20.495
Base-Backbone interact. energy: -0.051
local terms energy: -52.714918
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -198.570348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.570348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.570348 (E_RNA)
where:
Base-Base interactions energy: -126.037
where: short stacking energy: -59.960
Base-Backbone interact. energy: -0.103
local terms energy: -72.430415
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -15.906
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: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -211.097058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.097058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.097058 (E_RNA)
where:
Base-Base interactions energy: -134.029
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.507
local terms energy: -76.561703
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -17.199
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: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -209.120077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.120077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.120077 (E_RNA)
where:
Base-Base interactions energy: -128.139
where: short stacking energy: -68.061
Base-Backbone interact. energy: -0.850
local terms energy: -80.130639
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -198.438167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.438167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.438167 (E_RNA)
where:
Base-Base interactions energy: -124.203
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.006
local terms energy: -74.229259
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -186.230792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.230792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.230792 (E_RNA)
where:
Base-Base interactions energy: -120.401
where: short stacking energy: -56.237
Base-Backbone interact. energy: -0.011
local terms energy: -65.819291
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -14.683
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: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -97.577636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.577636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.577636 (E_RNA)
where:
Base-Base interactions energy: -45.780
where: short stacking energy: -43.360
Base-Backbone interact. energy: -0.003
local terms energy: -51.794772
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -6.219
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: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -148.713309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.713309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.713309 (E_RNA)
where:
Base-Base interactions energy: -86.767
where: short stacking energy: -45.286
Base-Backbone interact. energy: -0.398
local terms energy: -61.548584
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -8.147
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: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -186.229912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.229912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.229912 (E_RNA)
where:
Base-Base interactions energy: -123.056
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.125
local terms energy: -63.048853
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -81.665911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.665911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.665911 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -29.886
Base-Backbone interact. energy: -0.183
local terms energy: -49.750889
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -80.215953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.215953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.215953 (E_RNA)
where:
Base-Base interactions energy: -30.472
where: short stacking energy: -26.419
Base-Backbone interact. energy: -0.851
local terms energy: -48.893012
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -218.068900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.068900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.068900 (E_RNA)
where:
Base-Base interactions energy: -135.994
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.242
local terms energy: -81.833526
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -22.060
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -204.995415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.995415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.995415 (E_RNA)
where:
Base-Base interactions energy: -135.520
where: short stacking energy: -59.130
Base-Backbone interact. energy: -0.186
local terms energy: -69.289838
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.783
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: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -202.838761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.838761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.838761 (E_RNA)
where:
Base-Base interactions energy: -124.572
where: short stacking energy: -66.020
Base-Backbone interact. energy: -0.001
local terms energy: -78.266247
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -190.408734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.408734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.408734 (E_RNA)
where:
Base-Base interactions energy: -121.783
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.266
local terms energy: -68.360109
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -13.680
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: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -184.905062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.905062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.905062 (E_RNA)
where:
Base-Base interactions energy: -123.578
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.081
local terms energy: -61.245846
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -13.194
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: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -103.875373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.875373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.875373 (E_RNA)
where:
Base-Base interactions energy: -43.908
where: short stacking energy: -38.764
Base-Backbone interact. energy: -0.234
local terms energy: -59.733899
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -165.701547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.701547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.701547 (E_RNA)
where:
Base-Base interactions energy: -104.220
where: short stacking energy: -47.921
Base-Backbone interact. energy: -0.549
local terms energy: -60.933063
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -8.263
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: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -148.804745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.804745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.804745 (E_RNA)
where:
Base-Base interactions energy: -91.110
where: short stacking energy: -36.251
Base-Backbone interact. energy: 0.006
local terms energy: -57.701216
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -4.565
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: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -92.380792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.380792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.380792 (E_RNA)
where:
Base-Base interactions energy: -26.824
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.112
local terms energy: -65.444808
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -8.456
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: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -82.025979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.025979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.025979 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.128
local terms energy: -50.464889
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -6.158
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: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -208.761062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.761062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.761062 (E_RNA)
where:
Base-Base interactions energy: -132.546
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.007
local terms energy: -76.208305
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -8.976
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: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -211.278265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.278265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.278265 (E_RNA)
where:
Base-Base interactions energy: -132.243
where: short stacking energy: -55.097
Base-Backbone interact. energy: -0.062
local terms energy: -78.972953
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -17.356
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: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -202.617179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.617179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.617179 (E_RNA)
where:
Base-Base interactions energy: -121.152
where: short stacking energy: -65.196
Base-Backbone interact. energy: -0.044
local terms energy: -81.421384
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -21.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -188.942060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.942060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.942060 (E_RNA)
where:
Base-Base interactions energy: -120.954
where: short stacking energy: -49.750
Base-Backbone interact. energy: -0.004
local terms energy: -67.984627
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -16.138
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: 5, replica: 9
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -188.956757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.956757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.956757 (E_RNA)
where:
Base-Base interactions energy: -125.827
where: short stacking energy: -57.025
Base-Backbone interact. energy: -0.157
local terms energy: -62.973276
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -156.212699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.212699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.212699 (E_RNA)
where:
Base-Base interactions energy: -98.501
where: short stacking energy: -45.658
Base-Backbone interact. energy: -0.108
local terms energy: -57.603837
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -7.077
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: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -89.396130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.396130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.396130 (E_RNA)
where:
Base-Base interactions energy: -37.583
where: short stacking energy: -27.328
Base-Backbone interact. energy: -0.358
local terms energy: -51.454964
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -2.073
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: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -172.195983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.195983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.195983 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -49.367
Base-Backbone interact. energy: -0.011
local terms energy: -65.007862
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -17.344
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: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -81.664568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.664568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.664568 (E_RNA)
where:
Base-Base interactions energy: -30.198
where: short stacking energy: -25.270
Base-Backbone interact. energy: -1.932
local terms energy: -49.534666
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -87.577012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.577012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.577012 (E_RNA)
where:
Base-Base interactions energy: -42.646
where: short stacking energy: -40.535
Base-Backbone interact. energy: 0.001
local terms energy: -44.931485
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -6.724
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -210.228295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.228295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.228295 (E_RNA)
where:
Base-Base interactions energy: -133.369
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.013
local terms energy: -76.845880
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -210.166626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.166626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.166626 (E_RNA)
where:
Base-Base interactions energy: -137.099
where: short stacking energy: -71.665
Base-Backbone interact. energy: 1.185
local terms energy: -74.252739
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -211.530076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.530076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.530076 (E_RNA)
where:
Base-Base interactions energy: -135.706
where: short stacking energy: -63.415
Base-Backbone interact. energy: -0.262
local terms energy: -75.562266
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -198.633405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.633405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.633405 (E_RNA)
where:
Base-Base interactions energy: -122.380
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.329
local terms energy: -75.923937
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -10.213
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: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -169.984922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.984922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.984922 (E_RNA)
where:
Base-Base interactions energy: -103.954
where: short stacking energy: -59.292
Base-Backbone interact. energy: -0.881
local terms energy: -65.149543
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -16.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -182.355591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.355591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.355591 (E_RNA)
where:
Base-Base interactions energy: -112.983
where: short stacking energy: -55.544
Base-Backbone interact. energy: -0.009
local terms energy: -69.363496
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -157.405776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.405776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.405776 (E_RNA)
where:
Base-Base interactions energy: -97.184
where: short stacking energy: -51.790
Base-Backbone interact. energy: -0.243
local terms energy: -59.978433
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -10.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -89.719836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719836 (E_RNA)
where:
Base-Base interactions energy: -36.821
where: short stacking energy: -25.487
Base-Backbone interact. energy: -0.383
local terms energy: -52.515820
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -75.208358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.208358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.208358 (E_RNA)
where:
Base-Base interactions energy: -28.237
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.064
local terms energy: -46.906876
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: 3.929
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: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -85.723606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.723606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.723606 (E_RNA)
where:
Base-Base interactions energy: -26.060
where: short stacking energy: -23.289
Base-Backbone interact. energy: -0.500
local terms energy: -59.163158
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -8.879
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: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -212.799814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.799814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.799814 (E_RNA)
where:
Base-Base interactions energy: -133.636
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.014
local terms energy: -79.149602
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -201.055870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.055870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.055870 (E_RNA)
where:
Base-Base interactions energy: -131.418
where: short stacking energy: -66.575
Base-Backbone interact. energy: -0.111
local terms energy: -69.526816
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -15.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -185.949303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.949303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.949303 (E_RNA)
where:
Base-Base interactions energy: -122.979
where: short stacking energy: -56.058
Base-Backbone interact. energy: -0.442
local terms energy: -62.528253
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -187.801156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.801156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.801156 (E_RNA)
where:
Base-Base interactions energy: -116.532
where: short stacking energy: -61.705
Base-Backbone interact. energy: -0.529
local terms energy: -70.740106
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -11.545
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: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -208.841428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.841428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.841428 (E_RNA)
where:
Base-Base interactions energy: -136.038
where: short stacking energy: -73.178
Base-Backbone interact. energy: -0.089
local terms energy: -72.714813
where:
bonds (distance) C4'-P energy: -8.590
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -168.911649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.911649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.911649 (E_RNA)
where:
Base-Base interactions energy: -105.722
where: short stacking energy: -43.735
Base-Backbone interact. energy: 0.134
local terms energy: -63.324373
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -10.313
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: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -157.094508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.094508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.094508 (E_RNA)
where:
Base-Base interactions energy: -105.427
where: short stacking energy: -41.387
Base-Backbone interact. energy: -0.050
local terms energy: -51.617288
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -1.967
tors. eta vs tors. theta energy: -9.205
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: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -92.529090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.529090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.529090 (E_RNA)
where:
Base-Base interactions energy: -38.768
where: short stacking energy: -38.768
Base-Backbone interact. energy: 0.121
local terms energy: -53.882555
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -78.203196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.203196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.203196 (E_RNA)
where:
Base-Base interactions energy: -25.603
where: short stacking energy: -21.094
Base-Backbone interact. energy: -0.707
local terms energy: -51.893018
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -6.992
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -1.859
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: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -75.344133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.344133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.344133 (E_RNA)
where:
Base-Base interactions energy: -28.077
where: short stacking energy: -28.077
Base-Backbone interact. energy: -0.486
local terms energy: -46.781467
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -217.705754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.705754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.705754 (E_RNA)
where:
Base-Base interactions energy: -137.717
where: short stacking energy: -68.195
Base-Backbone interact. energy: -0.002
local terms energy: -79.986973
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -18.251
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: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -202.003658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.003658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.003658 (E_RNA)
where:
Base-Base interactions energy: -134.604
where: short stacking energy: -65.584
Base-Backbone interact. energy: -0.491
local terms energy: -66.909037
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -17.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -189.216576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.216576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.216576 (E_RNA)
where:
Base-Base interactions energy: -127.418
where: short stacking energy: -61.523
Base-Backbone interact. energy: 3.293
local terms energy: -65.091481
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.190
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: 4, replica: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -200.240974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.240974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.240974 (E_RNA)
where:
Base-Base interactions energy: -129.879
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.202
local terms energy: -70.160452
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -17.553
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: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -179.722640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.722640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.722640 (E_RNA)
where:
Base-Base interactions energy: -112.889
where: short stacking energy: -55.154
Base-Backbone interact. energy: -0.012
local terms energy: -66.821406
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -9.081
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: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -190.214554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.214554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.214554 (E_RNA)
where:
Base-Base interactions energy: -119.001
where: short stacking energy: -60.911
Base-Backbone interact. energy: -0.002
local terms energy: -71.210983
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -165.072892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.072892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.072892 (E_RNA)
where:
Base-Base interactions energy: -103.373
where: short stacking energy: -43.485
Base-Backbone interact. energy: -0.025
local terms energy: -61.675244
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -9.392
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: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -83.791614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.791614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.791614 (E_RNA)
where:
Base-Base interactions energy: -38.012
where: short stacking energy: -34.194
Base-Backbone interact. energy: -0.197
local terms energy: -45.582595
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -92.103203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.103203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.103203 (E_RNA)
where:
Base-Base interactions energy: -35.232
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.488
local terms energy: -56.383419
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -87.789091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.789091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.789091 (E_RNA)
where:
Base-Base interactions energy: -41.866
where: short stacking energy: -32.839
Base-Backbone interact. energy: 0.132
local terms energy: -46.054708
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -214.233073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.233073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.233073 (E_RNA)
where:
Base-Base interactions energy: -139.432
where: short stacking energy: -68.590
Base-Backbone interact. energy: -1.733
local terms energy: -73.067473
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -209.520198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.520198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.520198 (E_RNA)
where:
Base-Base interactions energy: -136.137
where: short stacking energy: -62.520
Base-Backbone interact. energy: 0.217
local terms energy: -73.599905
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -11.099
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: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -196.988272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.988272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.988272 (E_RNA)
where:
Base-Base interactions energy: -124.022
where: short stacking energy: -63.160
Base-Backbone interact. energy: 1.396
local terms energy: -74.363137
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -192.834775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.834775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.834775 (E_RNA)
where:
Base-Base interactions energy: -122.527
where: short stacking energy: -60.815
Base-Backbone interact. energy: -0.001
local terms energy: -70.307027
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -171.664002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.664002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.664002 (E_RNA)
where:
Base-Base interactions energy: -112.806
where: short stacking energy: -48.299
Base-Backbone interact. energy: -0.171
local terms energy: -58.687613
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -185.699681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.699681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.699681 (E_RNA)
where:
Base-Base interactions energy: -119.600
where: short stacking energy: -58.992
Base-Backbone interact. energy: -1.396
local terms energy: -64.703239
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -14.666
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: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -172.617276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.617276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.617276 (E_RNA)
where:
Base-Base interactions energy: -109.563
where: short stacking energy: -60.863
Base-Backbone interact. energy: -1.232
local terms energy: -61.822669
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -102.525017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.525017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.525017 (E_RNA)
where:
Base-Base interactions energy: -44.445
where: short stacking energy: -44.445
Base-Backbone interact. energy: 0.519
local terms energy: -58.598772
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -83.691413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.691413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.691413 (E_RNA)
where:
Base-Base interactions energy: -32.841
where: short stacking energy: -32.701
Base-Backbone interact. energy: -0.056
local terms energy: -50.794034
where:
bonds (distance) C4'-P energy: -7.735
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -87.547652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.547652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.547652 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.742
local terms energy: -52.749021
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -8.024
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -209.180194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.180194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.180194 (E_RNA)
where:
Base-Base interactions energy: -134.685
where: short stacking energy: -70.952
Base-Backbone interact. energy: -0.051
local terms energy: -74.444655
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -194.527264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.527264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.527264 (E_RNA)
where:
Base-Base interactions energy: -126.385
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.184
local terms energy: -67.958793
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -206.134929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.134929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.134929 (E_RNA)
where:
Base-Base interactions energy: -131.807
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.049
local terms energy: -74.278954
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -190.949772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.949772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.949772 (E_RNA)
where:
Base-Base interactions energy: -121.971
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.469
local terms energy: -68.509607
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -188.528095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.528095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.528095 (E_RNA)
where:
Base-Base interactions energy: -125.722
where: short stacking energy: -64.423
Base-Backbone interact. energy: -0.039
local terms energy: -62.767334
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -170.785641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.785641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.785641 (E_RNA)
where:
Base-Base interactions energy: -100.209
where: short stacking energy: -51.111
Base-Backbone interact. energy: -1.208
local terms energy: -69.369284
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -16.622
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: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -164.462550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.462550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.462550 (E_RNA)
where:
Base-Base interactions energy: -98.269
where: short stacking energy: -46.350
Base-Backbone interact. energy: -0.076
local terms energy: -66.116701
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -9.940
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: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -89.528724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.528724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.528724 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -34.415
Base-Backbone interact. energy: -1.119
local terms energy: -55.794689
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -8.241
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: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -86.332436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.332436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.332436 (E_RNA)
where:
Base-Base interactions energy: -33.242
where: short stacking energy: -29.337
Base-Backbone interact. energy: 1.288
local terms energy: -54.378885
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -7.756
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -82.528223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.528223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.528223 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -38.598
Base-Backbone interact. energy: -0.033
local terms energy: -43.897991
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -215.603966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.603966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.603966 (E_RNA)
where:
Base-Base interactions energy: -131.145
where: short stacking energy: -66.608
Base-Backbone interact. energy: -2.037
local terms energy: -82.421400
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -12.402
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: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -216.434165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.434165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.434165 (E_RNA)
where:
Base-Base interactions energy: -138.242
where: short stacking energy: -68.643
Base-Backbone interact. energy: -0.714
local terms energy: -77.478349
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -196.412317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.412317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.412317 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -57.183
Base-Backbone interact. energy: -0.057
local terms energy: -72.394154
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -204.832156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.832156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.832156 (E_RNA)
where:
Base-Base interactions energy: -135.207
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.001
local terms energy: -69.624559
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -186.841999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.841999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.841999 (E_RNA)
where:
Base-Base interactions energy: -123.080
where: short stacking energy: -65.020
Base-Backbone interact. energy: -0.079
local terms energy: -63.683410
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -13.259
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: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -159.161585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.161585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.161585 (E_RNA)
where:
Base-Base interactions energy: -111.192
where: short stacking energy: -45.062
Base-Backbone interact. energy: -2.579
local terms energy: -45.390796
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -171.171589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.171589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.171589 (E_RNA)
where:
Base-Base interactions energy: -106.715
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.335
local terms energy: -64.120979
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -83.054010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.054010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.054010 (E_RNA)
where:
Base-Base interactions energy: -27.775
where: short stacking energy: -27.775
Base-Backbone interact. energy: -0.101
local terms energy: -55.178010
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -85.140609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.140609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.140609 (E_RNA)
where:
Base-Base interactions energy: -40.706
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.133
local terms energy: -44.302315
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -73.542227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.542227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.542227 (E_RNA)
where:
Base-Base interactions energy: -24.112
where: short stacking energy: -17.687
Base-Backbone interact. energy: -0.296
local terms energy: -49.134951
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: 3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -216.791570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.791570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.791570 (E_RNA)
where:
Base-Base interactions energy: -138.355
where: short stacking energy: -73.176
Base-Backbone interact. energy: -0.048
local terms energy: -78.387729
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -22.069
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: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -220.434755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.434755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.434755 (E_RNA)
where:
Base-Base interactions energy: -142.976
where: short stacking energy: -74.213
Base-Backbone interact. energy: -0.001
local terms energy: -77.457845
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -22.502
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: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -204.990607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.990607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.990607 (E_RNA)
where:
Base-Base interactions energy: -130.761
where: short stacking energy: -69.662
Base-Backbone interact. energy: -0.002
local terms energy: -74.227341
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -198.749183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.749183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.749183 (E_RNA)
where:
Base-Base interactions energy: -127.360
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.482
local terms energy: -70.906484
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -191.787295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.787295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.787295 (E_RNA)
where:
Base-Base interactions energy: -124.334
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.221
local terms energy: -67.232681
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -6.984
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: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -165.112434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.112434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.112434 (E_RNA)
where:
Base-Base interactions energy: -98.518
where: short stacking energy: -51.098
Base-Backbone interact. energy: -0.294
local terms energy: -66.300529
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -183.370700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.370700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.370700 (E_RNA)
where:
Base-Base interactions energy: -122.472
where: short stacking energy: -57.204
Base-Backbone interact. energy: -0.052
local terms energy: -60.846753
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -13.635
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: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -80.236924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.236924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.236924 (E_RNA)
where:
Base-Base interactions energy: -28.555
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.054
local terms energy: -51.627974
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -2.180
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -86.268734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.268734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.268734 (E_RNA)
where:
Base-Base interactions energy: -31.376
where: short stacking energy: -31.376
Base-Backbone interact. energy: -0.045
local terms energy: -54.848601
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -80.428682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.428682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.428682 (E_RNA)
where:
Base-Base interactions energy: -26.863
where: short stacking energy: -26.683
Base-Backbone interact. energy: -0.917
local terms energy: -52.649076
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -1.184
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -211.171379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.171379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.171379 (E_RNA)
where:
Base-Base interactions energy: -130.034
where: short stacking energy: -68.333
Base-Backbone interact. energy: -0.122
local terms energy: -81.015706
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.713
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: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -216.217259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.217259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.217259 (E_RNA)
where:
Base-Base interactions energy: -135.706
where: short stacking energy: -66.970
Base-Backbone interact. energy: -0.037
local terms energy: -80.474314
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -204.497856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.497856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.497856 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -66.725
Base-Backbone interact. energy: -1.300
local terms energy: -70.065532
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -9.554
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -17.591
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: 245
Temperature: 1.050000
Total energy: -197.057924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.057924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.057924 (E_RNA)
where:
Base-Base interactions energy: -119.346
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.980
local terms energy: -76.731242
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -183.857758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.857758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.857758 (E_RNA)
where:
Base-Base interactions energy: -128.089
where: short stacking energy: -54.748
Base-Backbone interact. energy: 0.812
local terms energy: -56.580512
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -184.166934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.166934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.166934 (E_RNA)
where:
Base-Base interactions energy: -115.855
where: short stacking energy: -53.278
Base-Backbone interact. energy: -0.288
local terms energy: -68.024113
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -145.317858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.317858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.317858 (E_RNA)
where:
Base-Base interactions energy: -86.547
where: short stacking energy: -42.666
Base-Backbone interact. energy: -0.100
local terms energy: -58.670760
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -10.553
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: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -88.921516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.921516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.921516 (E_RNA)
where:
Base-Base interactions energy: -33.491
where: short stacking energy: -33.491
Base-Backbone interact. energy: -0.109
local terms energy: -55.322354
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -77.968384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.968384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.968384 (E_RNA)
where:
Base-Base interactions energy: -30.053
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.218
local terms energy: -47.697412
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -81.862794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.862794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.862794 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -32.228
Base-Backbone interact. energy: 0.063
local terms energy: -49.022708
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -218.058786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.058786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.058786 (E_RNA)
where:
Base-Base interactions energy: -137.791
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.013
local terms energy: -80.254722
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.139
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: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -205.125803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.125803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.125803 (E_RNA)
where:
Base-Base interactions energy: -131.931
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.002
local terms energy: -73.193400
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -16.466
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: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -209.287364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.287364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.287364 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.033
local terms energy: -80.772917
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -18.981
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: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -200.330564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.330564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.330564 (E_RNA)
where:
Base-Base interactions energy: -126.239
where: short stacking energy: -61.285
Base-Backbone interact. energy: -0.925
local terms energy: -73.166494
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -191.825322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.825322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.825322 (E_RNA)
where:
Base-Base interactions energy: -127.107
where: short stacking energy: -56.311
Base-Backbone interact. energy: -0.456
local terms energy: -64.262696
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -13.795
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: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -178.506100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.506100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.506100 (E_RNA)
where:
Base-Base interactions energy: -124.045
where: short stacking energy: -53.891
Base-Backbone interact. energy: -0.309
local terms energy: -54.151644
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -10.324
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: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -100.257450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.257450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.257450 (E_RNA)
where:
Base-Base interactions energy: -40.880
where: short stacking energy: -40.880
Base-Backbone interact. energy: -0.041
local terms energy: -59.336688
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -11.150
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: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -153.563686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.563686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.563686 (E_RNA)
where:
Base-Base interactions energy: -88.774
where: short stacking energy: -53.130
Base-Backbone interact. energy: -0.595
local terms energy: -64.194059
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -79.525165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.525165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.525165 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -28.056
Base-Backbone interact. energy: -0.071
local terms energy: -48.376329
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -2.814
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: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -74.781787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.781787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.781787 (E_RNA)
where:
Base-Base interactions energy: -26.632
where: short stacking energy: -26.171
Base-Backbone interact. energy: -0.162
local terms energy: -47.988147
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -220.892971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.892971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.892971 (E_RNA)
where:
Base-Base interactions energy: -140.774
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.285
local terms energy: -79.834009
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -213.048945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.048945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.048945 (E_RNA)
where:
Base-Base interactions energy: -137.197
where: short stacking energy: -73.511
Base-Backbone interact. energy: -0.028
local terms energy: -75.824638
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -199.613434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.613434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.613434 (E_RNA)
where:
Base-Base interactions energy: -125.224
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.002
local terms energy: -74.386941
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -195.163405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.163405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.163405 (E_RNA)
where:
Base-Base interactions energy: -127.370
where: short stacking energy: -56.052
Base-Backbone interact. energy: -0.860
local terms energy: -66.932855
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -175.932963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.932963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.932963 (E_RNA)
where:
Base-Base interactions energy: -110.483
where: short stacking energy: -60.034
Base-Backbone interact. energy: -0.001
local terms energy: -65.449053
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -7.135
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -18.570
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: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -189.325089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.325089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.325089 (E_RNA)
where:
Base-Base interactions energy: -124.279
where: short stacking energy: -49.544
Base-Backbone interact. energy: -0.239
local terms energy: -64.807116
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -11.846
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: 247
Temperature: 1.200000
Total energy: -85.357359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.357359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.357359 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -22.154
Base-Backbone interact. energy: 0.681
local terms energy: -46.947890
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: 2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -126.175017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.175017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.175017 (E_RNA)
where:
Base-Base interactions energy: -68.263
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.186
local terms energy: -57.725570
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -4.068
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: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -79.489950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.489950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.489950 (E_RNA)
where:
Base-Base interactions energy: -32.040
where: short stacking energy: -19.136
Base-Backbone interact. energy: -0.163
local terms energy: -47.287412
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -1.014
tors. eta vs tors. theta energy: -1.543
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: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -77.829307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.829307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.829307 (E_RNA)
where:
Base-Base interactions energy: -27.781
where: short stacking energy: -28.081
Base-Backbone interact. energy: -0.402
local terms energy: -49.647126
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -213.113300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.113300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.113300 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -73.074
Base-Backbone interact. energy: -0.569
local terms energy: -70.223144
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -10.895
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: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -221.703507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.703507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.703507 (E_RNA)
where:
Base-Base interactions energy: -141.531
where: short stacking energy: -76.325
Base-Backbone interact. energy: -0.490
local terms energy: -79.682897
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -203.246293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.246293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.246293 (E_RNA)
where:
Base-Base interactions energy: -130.504
where: short stacking energy: -66.060
Base-Backbone interact. energy: -0.510
local terms energy: -72.232670
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -194.401055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.401055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.401055 (E_RNA)
where:
Base-Base interactions energy: -128.209
where: short stacking energy: -65.553
Base-Backbone interact. energy: -0.019
local terms energy: -66.172591
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -190.146507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.146507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.146507 (E_RNA)
where:
Base-Base interactions energy: -115.926
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.001
local terms energy: -74.219886
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -174.308693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.308693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.308693 (E_RNA)
where:
Base-Base interactions energy: -113.187
where: short stacking energy: -54.267
Base-Backbone interact. energy: 0.020
local terms energy: -61.141851
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -8.290
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: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -139.807079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.807079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.807079 (E_RNA)
where:
Base-Base interactions energy: -79.927
where: short stacking energy: -45.944
Base-Backbone interact. energy: -0.047
local terms energy: -59.833102
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -85.353400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.353400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.353400 (E_RNA)
where:
Base-Base interactions energy: -26.560
where: short stacking energy: -25.310
Base-Backbone interact. energy: -0.336
local terms energy: -58.457525
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -83.660392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.660392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.660392 (E_RNA)
where:
Base-Base interactions energy: -33.119
where: short stacking energy: -33.119
Base-Backbone interact. energy: -0.395
local terms energy: -50.146655
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -77.326584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.326584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.326584 (E_RNA)
where:
Base-Base interactions energy: -19.246
where: short stacking energy: -15.322
Base-Backbone interact. energy: 0.054
local terms energy: -58.134667
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -221.068631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.068631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.068631 (E_RNA)
where:
Base-Base interactions energy: -141.466
where: short stacking energy: -71.624
Base-Backbone interact. energy: -0.003
local terms energy: -79.598833
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -17.584
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: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -204.629522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.629522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.629522 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -61.889
Base-Backbone interact. energy: 1.241
local terms energy: -69.430274
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -212.452376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.452376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.452376 (E_RNA)
where:
Base-Base interactions energy: -133.226
where: short stacking energy: -71.839
Base-Backbone interact. energy: -0.002
local terms energy: -79.224246
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -198.346732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.346732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.346732 (E_RNA)
where:
Base-Base interactions energy: -124.702
where: short stacking energy: -65.296
Base-Backbone interact. energy: -0.108
local terms energy: -73.536140
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -196.062354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.062354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.062354 (E_RNA)
where:
Base-Base interactions energy: -120.509
where: short stacking energy: -63.111
Base-Backbone interact. energy: -1.371
local terms energy: -74.181425
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -159.430308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.430308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.430308 (E_RNA)
where:
Base-Base interactions energy: -96.994
where: short stacking energy: -40.429
Base-Backbone interact. energy: 0.668
local terms energy: -63.104266
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -161.476143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.476143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.476143 (E_RNA)
where:
Base-Base interactions energy: -104.326
where: short stacking energy: -51.151
Base-Backbone interact. energy: -0.038
local terms energy: -57.112605
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -11.153
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: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -77.340101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.340101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.340101 (E_RNA)
where:
Base-Base interactions energy: -32.608
where: short stacking energy: -28.512
Base-Backbone interact. energy: 0.868
local terms energy: -45.599996
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: 0.948
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: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -90.234753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.234753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.234753 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -31.505
Base-Backbone interact. energy: 1.314
local terms energy: -55.491042
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -79.105722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.105722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.105722 (E_RNA)
where:
Base-Base interactions energy: -39.548
where: short stacking energy: -24.808
Base-Backbone interact. energy: -0.067
local terms energy: -39.490878
where:
bonds (distance) C4'-P energy: -6.954
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -2.843
tors. eta vs tors. theta energy: 0.539
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: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -209.029504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.029504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.029504 (E_RNA)
where:
Base-Base interactions energy: -135.425
where: short stacking energy: -64.238
Base-Backbone interact. energy: -0.824
local terms energy: -72.780174
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -208.518447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.518447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.518447 (E_RNA)
where:
Base-Base interactions energy: -130.741
where: short stacking energy: -71.768
Base-Backbone interact. energy: -0.062
local terms energy: -77.715198
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -205.105919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.105919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.105919 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.073
local terms energy: -72.286283
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -202.154129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.154129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.154129 (E_RNA)
where:
Base-Base interactions energy: -130.270
where: short stacking energy: -77.682
Base-Backbone interact. energy: 2.002
local terms energy: -73.886094
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -18.545
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: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -186.457578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.457578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.457578 (E_RNA)
where:
Base-Base interactions energy: -121.092
where: short stacking energy: -55.945
Base-Backbone interact. energy: -0.376
local terms energy: -64.990099
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -11.537
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: 6, replica: 9
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -161.077185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.077185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.077185 (E_RNA)
where:
Base-Base interactions energy: -96.208
where: short stacking energy: -57.507
Base-Backbone interact. energy: -0.003
local terms energy: -64.866680
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -155.221053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.221053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.221053 (E_RNA)
where:
Base-Base interactions energy: -101.417
where: short stacking energy: -52.424
Base-Backbone interact. energy: -0.371
local terms energy: -53.432702
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -7.372
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: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -95.822787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.822787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.822787 (E_RNA)
where:
Base-Base interactions energy: -39.739
where: short stacking energy: -39.739
Base-Backbone interact. energy: -0.012
local terms energy: -56.071191
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -75.514038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.514038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.514038 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -33.790
Base-Backbone interact. energy: -0.548
local terms energy: -37.151710
where:
bonds (distance) C4'-P energy: -4.858
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -90.800634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.800634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.800634 (E_RNA)
where:
Base-Base interactions energy: -41.596
where: short stacking energy: -21.293
Base-Backbone interact. energy: -0.074
local terms energy: -49.130901
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -208.748031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.748031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.748031 (E_RNA)
where:
Base-Base interactions energy: -134.137
where: short stacking energy: -68.072
Base-Backbone interact. energy: -0.291
local terms energy: -74.319425
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -9.659
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: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -206.921840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.921840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.921840 (E_RNA)
where:
Base-Base interactions energy: -130.957
where: short stacking energy: -70.989
Base-Backbone interact. energy: -0.310
local terms energy: -75.655092
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -20.363
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: 251
Temperature: 1.000000
Total energy: -213.321709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.321709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.321709 (E_RNA)
where:
Base-Base interactions energy: -135.433
where: short stacking energy: -77.593
Base-Backbone interact. energy: -0.858
local terms energy: -77.031393
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -200.706572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.706572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.706572 (E_RNA)
where:
Base-Base interactions energy: -130.361
where: short stacking energy: -64.649
Base-Backbone interact. energy: 0.691
local terms energy: -71.036012
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -198.533051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.533051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.533051 (E_RNA)
where:
Base-Base interactions energy: -124.406
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.009
local terms energy: -74.118885
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -187.370334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.370334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.370334 (E_RNA)
where:
Base-Base interactions energy: -115.270
where: short stacking energy: -53.113
Base-Backbone interact. energy: -0.638
local terms energy: -71.461745
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -16.368
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: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -134.863775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.863775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.863775 (E_RNA)
where:
Base-Base interactions energy: -78.954
where: short stacking energy: -43.060
Base-Backbone interact. energy: -0.876
local terms energy: -55.034009
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -89.225968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.225968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.225968 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -35.269
Base-Backbone interact. energy: -0.275
local terms energy: -49.251050
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -84.838901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.838901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.838901 (E_RNA)
where:
Base-Base interactions energy: -33.584
where: short stacking energy: -33.584
Base-Backbone interact. energy: -0.093
local terms energy: -51.162132
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -83.479136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.479136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.479136 (E_RNA)
where:
Base-Base interactions energy: -30.350
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.257
local terms energy: -52.871801
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -3.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -222.825480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.825480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.825480 (E_RNA)
where:
Base-Base interactions energy: -146.166
where: short stacking energy: -76.403
Base-Backbone interact. energy: -0.787
local terms energy: -75.871758
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -201.907583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.907583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.907583 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.059
local terms energy: -72.060858
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -20.664
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -195.861175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.861175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.861175 (E_RNA)
where:
Base-Base interactions energy: -124.992
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.002
local terms energy: -70.866990
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -198.365893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.365893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.365893 (E_RNA)
where:
Base-Base interactions energy: -131.883
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.010
local terms energy: -66.473028
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -199.839522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.839522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.839522 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -72.462
Base-Backbone interact. energy: -0.414
local terms energy: -67.146339
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -18.553
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: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -186.504185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.504185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.504185 (E_RNA)
where:
Base-Base interactions energy: -124.993
where: short stacking energy: -60.081
Base-Backbone interact. energy: 0.449
local terms energy: -61.960762
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -15.071
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: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -150.575275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.575275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.575275 (E_RNA)
where:
Base-Base interactions energy: -93.169
where: short stacking energy: -33.826
Base-Backbone interact. energy: -0.057
local terms energy: -57.349581
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -9.209
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: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -93.144765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.144765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.144765 (E_RNA)
where:
Base-Base interactions energy: -42.788
where: short stacking energy: -23.173
Base-Backbone interact. energy: -0.611
local terms energy: -49.746270
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -81.393917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.393917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.393917 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -27.252
Base-Backbone interact. energy: -0.327
local terms energy: -50.004160
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -77.818100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.818100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.818100 (E_RNA)
where:
Base-Base interactions energy: -33.953
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.032
local terms energy: -43.833555
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -0.923
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: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -210.603851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.603851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.603851 (E_RNA)
where:
Base-Base interactions energy: -132.750
where: short stacking energy: -75.007
Base-Backbone interact. energy: -0.055
local terms energy: -77.798171
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -213.459734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.459734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.459734 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -75.904
Base-Backbone interact. energy: -0.011
local terms energy: -70.438105
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -192.303300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.303300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.303300 (E_RNA)
where:
Base-Base interactions energy: -124.942
where: short stacking energy: -65.081
Base-Backbone interact. energy: -0.029
local terms energy: -67.331744
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -199.343225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.343225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.343225 (E_RNA)
where:
Base-Base interactions energy: -129.516
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.009
local terms energy: -69.818045
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -18.514
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: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -193.202059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.202059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.202059 (E_RNA)
where:
Base-Base interactions energy: -120.049
where: short stacking energy: -55.334
Base-Backbone interact. energy: -0.102
local terms energy: -73.051636
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -181.578606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.578606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.578606 (E_RNA)
where:
Base-Base interactions energy: -115.119
where: short stacking energy: -50.485
Base-Backbone interact. energy: -0.467
local terms energy: -65.992757
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -10.663
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: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -151.210377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.210377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.210377 (E_RNA)
where:
Base-Base interactions energy: -87.121
where: short stacking energy: -41.178
Base-Backbone interact. energy: -0.767
local terms energy: -63.322459
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -120.304052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.304052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.304052 (E_RNA)
where:
Base-Base interactions energy: -73.198
where: short stacking energy: -38.144
Base-Backbone interact. energy: 2.172
local terms energy: -49.277574
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -4.312
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: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -92.886365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.886365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.886365 (E_RNA)
where:
Base-Base interactions energy: -38.102
where: short stacking energy: -38.102
Base-Backbone interact. energy: 1.672
local terms energy: -56.456174
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -4.700
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: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -76.430492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.430492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.430492 (E_RNA)
where:
Base-Base interactions energy: -26.132
where: short stacking energy: -26.132
Base-Backbone interact. energy: -0.108
local terms energy: -50.191160
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -4.469
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: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -223.933549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.933549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.933549 (E_RNA)
where:
Base-Base interactions energy: -143.941
where: short stacking energy: -79.378
Base-Backbone interact. energy: -0.576
local terms energy: -79.416406
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -228.083136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.083136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.083136 (E_RNA)
where:
Base-Base interactions energy: -150.393
where: short stacking energy: -74.893
Base-Backbone interact. energy: -1.400
local terms energy: -76.289802
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -18.193
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: 254
Temperature: 1.000000
Total energy: -201.472044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.472044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.472044 (E_RNA)
where:
Base-Base interactions energy: -130.200
where: short stacking energy: -69.563
Base-Backbone interact. energy: -0.004
local terms energy: -71.267993
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -14.409
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: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -185.352956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.352956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.352956 (E_RNA)
where:
Base-Base interactions energy: -121.560
where: short stacking energy: -46.870
Base-Backbone interact. energy: -0.808
local terms energy: -62.985076
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -192.793369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.793369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.793369 (E_RNA)
where:
Base-Base interactions energy: -120.198
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.075
local terms energy: -72.520717
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -188.328178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.328178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.328178 (E_RNA)
where:
Base-Base interactions energy: -133.887
where: short stacking energy: -64.079
Base-Backbone interact. energy: 0.588
local terms energy: -55.028757
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -5.753
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -1.287
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -155.708500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.708500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.708500 (E_RNA)
where:
Base-Base interactions energy: -93.801
where: short stacking energy: -43.100
Base-Backbone interact. energy: -0.075
local terms energy: -61.832231
where:
bonds (distance) C4'-P energy: -7.318
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -149.038652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.038652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.038652 (E_RNA)
where:
Base-Base interactions energy: -92.423
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.434
local terms energy: -56.181801
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -12.572
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: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -91.848723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.848723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.848723 (E_RNA)
where:
Base-Base interactions energy: -39.573
where: short stacking energy: -35.736
Base-Backbone interact. energy: -0.200
local terms energy: -52.076150
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -7.631
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: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -78.206541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.206541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.206541 (E_RNA)
where:
Base-Base interactions energy: -26.150
where: short stacking energy: -26.150
Base-Backbone interact. energy: -0.101
local terms energy: -51.955934
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -5.099
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: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -221.337625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.337625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.337625 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -73.326
Base-Backbone interact. energy: -2.660
local terms energy: -75.851435
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -11.953
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: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -219.006556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.006556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.006556 (E_RNA)
where:
Base-Base interactions energy: -147.097
where: short stacking energy: -75.173
Base-Backbone interact. energy: -0.459
local terms energy: -71.451061
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -20.443
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: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -206.816277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.816277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.816277 (E_RNA)
where:
Base-Base interactions energy: -132.769
where: short stacking energy: -70.044
Base-Backbone interact. energy: -0.006
local terms energy: -74.040799
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.493
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: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -192.659271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.659271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.659271 (E_RNA)
where:
Base-Base interactions energy: -128.405
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.183
local terms energy: -64.071454
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -188.835102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.835102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.835102 (E_RNA)
where:
Base-Base interactions energy: -127.770
where: short stacking energy: -45.945
Base-Backbone interact. energy: -0.444
local terms energy: -60.621073
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -176.738889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.738889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.738889 (E_RNA)
where:
Base-Base interactions energy: -107.063
where: short stacking energy: -52.194
Base-Backbone interact. energy: -0.497
local terms energy: -69.178908
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -142.224711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.224711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.224711 (E_RNA)
where:
Base-Base interactions energy: -83.881
where: short stacking energy: -44.397
Base-Backbone interact. energy: -0.167
local terms energy: -58.175970
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -137.762542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.762542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.762542 (E_RNA)
where:
Base-Base interactions energy: -78.260
where: short stacking energy: -45.317
Base-Backbone interact. energy: -0.133
local terms energy: -59.369502
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -8.954
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: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -86.820477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.820477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.820477 (E_RNA)
where:
Base-Base interactions energy: -33.442
where: short stacking energy: -30.258
Base-Backbone interact. energy: -0.162
local terms energy: -53.216813
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -71.736375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.736375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.736375 (E_RNA)
where:
Base-Base interactions energy: -24.619
where: short stacking energy: -19.372
Base-Backbone interact. energy: 0.379
local terms energy: -47.496274
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -207.340778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.340778 (E_RNA)
where:
Base-Base interactions energy: -127.690
where: short stacking energy: -67.407
Base-Backbone interact. energy: -0.001
local terms energy: -79.649310
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -18.717
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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -213.742903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.742903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.742903 (E_RNA)
where:
Base-Base interactions energy: -135.775
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.010
local terms energy: -77.958029
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -21.602
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: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -203.921478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.921478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.921478 (E_RNA)
where:
Base-Base interactions energy: -133.856
where: short stacking energy: -63.625
Base-Backbone interact. energy: -0.480
local terms energy: -69.585444
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -20.157
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: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -193.834979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.834979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.834979 (E_RNA)
where:
Base-Base interactions energy: -122.114
where: short stacking energy: -62.623
Base-Backbone interact. energy: -0.095
local terms energy: -71.625916
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -180.669710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.669710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.669710 (E_RNA)
where:
Base-Base interactions energy: -110.236
where: short stacking energy: -51.917
Base-Backbone interact. energy: 0.173
local terms energy: -70.605945
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -14.564
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: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -192.012627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.012627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.012627 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -54.405
Base-Backbone interact. energy: -0.144
local terms energy: -74.072635
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -168.268606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.268606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.268606 (E_RNA)
where:
Base-Base interactions energy: -102.355
where: short stacking energy: -40.023
Base-Backbone interact. energy: -0.012
local terms energy: -65.901920
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -141.811835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.811835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.811835 (E_RNA)
where:
Base-Base interactions energy: -85.205
where: short stacking energy: -35.624
Base-Backbone interact. energy: -0.385
local terms energy: -56.220892
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -87.805271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.805271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.805271 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -39.240
Base-Backbone interact. energy: -0.263
local terms energy: -47.929827
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -9.470
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -77.582904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.582904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.582904 (E_RNA)
where:
Base-Base interactions energy: -28.061
where: short stacking energy: -28.061
Base-Backbone interact. energy: -1.142
local terms energy: -48.379241
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -202.950515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.950515 (E_RNA)
where:
Base-Base interactions energy: -127.834
where: short stacking energy: -72.583
Base-Backbone interact. energy: -0.000
local terms energy: -75.116509
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -195.360654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.360654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.360654 (E_RNA)
where:
Base-Base interactions energy: -123.188
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.041
local terms energy: -72.131270
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -206.582010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.582010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.582010 (E_RNA)
where:
Base-Base interactions energy: -130.845
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.075
local terms energy: -75.662107
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -201.601224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.601224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.601224 (E_RNA)
where:
Base-Base interactions energy: -132.324
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.166
local terms energy: -69.110801
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -19.303
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: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -200.602948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.602948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.602948 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.168
local terms energy: -73.744743
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -17.146
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: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -170.204237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.204237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.204237 (E_RNA)
where:
Base-Base interactions energy: -113.226
where: short stacking energy: -47.896
Base-Backbone interact. energy: -0.061
local terms energy: -56.917757
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -10.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -142.361519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.361519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.361519 (E_RNA)
where:
Base-Base interactions energy: -86.840
where: short stacking energy: -49.765
Base-Backbone interact. energy: -0.714
local terms energy: -54.807099
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -105.118362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.118362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.118362 (E_RNA)
where:
Base-Base interactions energy: -50.908
where: short stacking energy: -25.014
Base-Backbone interact. energy: -0.054
local terms energy: -54.155868
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -82.444504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.444504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.444504 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -25.801
Base-Backbone interact. energy: 0.144
local terms energy: -56.787326
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -5.779
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: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -87.502499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.502499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.502499 (E_RNA)
where:
Base-Base interactions energy: -29.091
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.088
local terms energy: -58.322561
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -12.302
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: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -204.912118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.912118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.912118 (E_RNA)
where:
Base-Base interactions energy: -137.816
where: short stacking energy: -69.130
Base-Backbone interact. energy: -0.005
local terms energy: -67.091526
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -210.082660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.082660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.082660 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.156
local terms energy: -76.486876
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -203.237686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.237686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.237686 (E_RNA)
where:
Base-Base interactions energy: -129.740
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.001
local terms energy: -73.497474
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -200.669576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.669576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.669576 (E_RNA)
where:
Base-Base interactions energy: -123.077
where: short stacking energy: -69.838
Base-Backbone interact. energy: -0.050
local terms energy: -77.542308
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -21.283
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: 258
Temperature: 1.100000
Total energy: -188.078948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.078948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.078948 (E_RNA)
where:
Base-Base interactions energy: -119.417
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.168
local terms energy: -68.493605
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -14.100
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: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -201.036068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.036068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.036068 (E_RNA)
where:
Base-Base interactions energy: -122.561
where: short stacking energy: -66.384
Base-Backbone interact. energy: -0.009
local terms energy: -78.465959
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -143.876905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.876905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.876905 (E_RNA)
where:
Base-Base interactions energy: -83.372
where: short stacking energy: -43.706
Base-Backbone interact. energy: 2.058
local terms energy: -62.562501
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -13.042
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: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -91.088992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.088992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.088992 (E_RNA)
where:
Base-Base interactions energy: -39.257
where: short stacking energy: -34.867
Base-Backbone interact. energy: 0.055
local terms energy: -51.886958
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -83.940453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.940453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.940453 (E_RNA)
where:
Base-Base interactions energy: -40.895
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.105
local terms energy: -42.940303
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -4.414
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -10.395
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: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -78.047780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.047780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.047780 (E_RNA)
where:
Base-Base interactions energy: -32.062
where: short stacking energy: -31.180
Base-Backbone interact. energy: -0.172
local terms energy: -45.814280
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -209.171180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.171180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.171180 (E_RNA)
where:
Base-Base interactions energy: -133.962
where: short stacking energy: -66.478
Base-Backbone interact. energy: -0.008
local terms energy: -75.201357
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -18.353
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: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -209.045097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.045097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.045097 (E_RNA)
where:
Base-Base interactions energy: -132.002
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.131
local terms energy: -76.911842
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -17.602
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: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -204.193123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.193123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.193123 (E_RNA)
where:
Base-Base interactions energy: -128.121
where: short stacking energy: -60.331
Base-Backbone interact. energy: -0.035
local terms energy: -76.036929
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -199.558348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.558348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.558348 (E_RNA)
where:
Base-Base interactions energy: -130.987
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.055
local terms energy: -68.516083
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -186.065926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.065926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.065926 (E_RNA)
where:
Base-Base interactions energy: -124.989
where: short stacking energy: -59.693
Base-Backbone interact. energy: -0.045
local terms energy: -61.031883
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -4.176
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: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -190.088618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.088618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.088618 (E_RNA)
where:
Base-Base interactions energy: -122.633
where: short stacking energy: -63.908
Base-Backbone interact. energy: -0.142
local terms energy: -67.313807
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -152.793779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.793779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.793779 (E_RNA)
where:
Base-Base interactions energy: -102.021
where: short stacking energy: -43.590
Base-Backbone interact. energy: -0.052
local terms energy: -50.720767
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -8.080
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -5.569
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: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -98.600209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.600209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.600209 (E_RNA)
where:
Base-Base interactions energy: -43.929
where: short stacking energy: -37.236
Base-Backbone interact. energy: -0.119
local terms energy: -54.552175
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -95.615651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.615651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.615651 (E_RNA)
where:
Base-Base interactions energy: -52.566
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.070
local terms energy: -42.979397
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -1.276
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -78.458068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.458068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.458068 (E_RNA)
where:
Base-Base interactions energy: -30.518
where: short stacking energy: -23.651
Base-Backbone interact. energy: -0.085
local terms energy: -47.854403
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -191.727212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.727212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.727212 (E_RNA)
where:
Base-Base interactions energy: -121.488
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.179
local terms energy: -70.060517
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -14.309
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: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -203.536338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.536338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.536338 (E_RNA)
where:
Base-Base interactions energy: -132.535
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.339
local terms energy: -70.661923
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -15.706
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: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -197.768434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768434 (E_RNA)
where:
Base-Base interactions energy: -130.341
where: short stacking energy: -69.612
Base-Backbone interact. energy: -0.027
local terms energy: -67.399579
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -202.199247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.199247 (E_RNA)
where:
Base-Base interactions energy: -126.892
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.730
local terms energy: -74.576416
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -18.235
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: 260
Temperature: 1.100000
Total energy: -184.196362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.196362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.196362 (E_RNA)
where:
Base-Base interactions energy: -124.184
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.318
local terms energy: -59.694342
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -8.686
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -177.081013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.081013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.081013 (E_RNA)
where:
Base-Base interactions energy: -109.947
where: short stacking energy: -53.697
Base-Backbone interact. energy: -0.422
local terms energy: -66.712603
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -11.941
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: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -144.358590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.358590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.358590 (E_RNA)
where:
Base-Base interactions energy: -92.963
where: short stacking energy: -46.112
Base-Backbone interact. energy: -0.244
local terms energy: -51.151772
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -10.475
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: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -81.754082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.754082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.754082 (E_RNA)
where:
Base-Base interactions energy: -31.810
where: short stacking energy: -22.999
Base-Backbone interact. energy: -0.114
local terms energy: -49.830517
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -2.462
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: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -74.900069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.900069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.900069 (E_RNA)
where:
Base-Base interactions energy: -27.411
where: short stacking energy: -21.544
Base-Backbone interact. energy: -0.121
local terms energy: -47.367763
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -134.457913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.457913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.457913 (E_RNA)
where:
Base-Base interactions energy: -78.811
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.508
local terms energy: -55.139503
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -5.344
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: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -198.391034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391034 (E_RNA)
where:
Base-Base interactions energy: -133.518
where: short stacking energy: -64.283
Base-Backbone interact. energy: -0.262
local terms energy: -64.611096
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -9.186
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: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -207.574782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.574782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.574782 (E_RNA)
where:
Base-Base interactions energy: -130.804
where: short stacking energy: -71.133
Base-Backbone interact. energy: -0.591
local terms energy: -76.179405
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -194.532198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.532198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.532198 (E_RNA)
where:
Base-Base interactions energy: -125.350
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.004
local terms energy: -69.178442
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -207.953794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.953794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.953794 (E_RNA)
where:
Base-Base interactions energy: -132.194
where: short stacking energy: -68.256
Base-Backbone interact. energy: -0.256
local terms energy: -75.503968
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -19.094
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: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -182.069824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.069824 (E_RNA)
where:
Base-Base interactions energy: -121.003
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.015
local terms energy: -61.051194
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -10.159
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: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -176.645194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.645194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.645194 (E_RNA)
where:
Base-Base interactions energy: -110.642
where: short stacking energy: -51.389
Base-Backbone interact. energy: -0.430
local terms energy: -65.573059
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -133.371469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.371469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.371469 (E_RNA)
where:
Base-Base interactions energy: -77.959
where: short stacking energy: -32.976
Base-Backbone interact. energy: 0.068
local terms energy: -55.480298
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -3.526
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: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -80.876445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.876445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.876445 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -23.291
Base-Backbone interact. energy: -0.697
local terms energy: -47.669744
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: 0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -95.126839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.126839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.126839 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -38.162
Base-Backbone interact. energy: -0.003
local terms energy: -56.397181
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -77.579327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.579327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.579327 (E_RNA)
where:
Base-Base interactions energy: -27.880
where: short stacking energy: -26.851
Base-Backbone interact. energy: -0.189
local terms energy: -49.510256
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -2.306
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: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -218.166275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.166275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.166275 (E_RNA)
where:
Base-Base interactions energy: -138.283
where: short stacking energy: -73.101
Base-Backbone interact. energy: -0.322
local terms energy: -79.562067
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -20.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -200.603809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.603809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.603809 (E_RNA)
where:
Base-Base interactions energy: -130.781
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.001
local terms energy: -69.822152
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -208.787088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.787088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.787088 (E_RNA)
where:
Base-Base interactions energy: -131.509
where: short stacking energy: -70.560
Base-Backbone interact. energy: -0.126
local terms energy: -77.152263
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -17.324
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: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -192.480464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.480464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.480464 (E_RNA)
where:
Base-Base interactions energy: -126.611
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.111
local terms energy: -65.759251
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -13.621
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: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -178.052084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.052084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.052084 (E_RNA)
where:
Base-Base interactions energy: -108.128
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.171
local terms energy: -69.752751
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -172.188709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.188709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.188709 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -45.930
Base-Backbone interact. energy: 0.349
local terms energy: -59.667830
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -10.048
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: 262
Temperature: 1.200000
Total energy: -137.140836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.140836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.140836 (E_RNA)
where:
Base-Base interactions energy: -85.598
where: short stacking energy: -29.426
Base-Backbone interact. energy: -0.740
local terms energy: -50.802644
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -98.201072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.201072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.201072 (E_RNA)
where:
Base-Base interactions energy: -43.414
where: short stacking energy: -42.637
Base-Backbone interact. energy: -0.037
local terms energy: -54.749896
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -5.810
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: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -85.190696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190696 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -22.977
Base-Backbone interact. energy: -0.308
local terms energy: -55.979006
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -75.609050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.609050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.609050 (E_RNA)
where:
Base-Base interactions energy: -31.477
where: short stacking energy: -24.490
Base-Backbone interact. energy: -1.045
local terms energy: -43.087177
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: 4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -212.904400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.904400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.904400 (E_RNA)
where:
Base-Base interactions energy: -135.474
where: short stacking energy: -67.825
Base-Backbone interact. energy: -1.405
local terms energy: -76.025073
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -204.188688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.188688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.188688 (E_RNA)
where:
Base-Base interactions energy: -134.949
where: short stacking energy: -61.747
Base-Backbone interact. energy: -0.124
local terms energy: -69.115517
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -203.424068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.424068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.424068 (E_RNA)
where:
Base-Base interactions energy: -126.582
where: short stacking energy: -62.408
Base-Backbone interact. energy: -0.139
local terms energy: -76.703031
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -200.772491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.772491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.772491 (E_RNA)
where:
Base-Base interactions energy: -133.127
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.100
local terms energy: -67.545878
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -16.515
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: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -189.708113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.708113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.708113 (E_RNA)
where:
Base-Base interactions energy: -121.548
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.143
local terms energy: -68.017693
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -181.529299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.529299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.529299 (E_RNA)
where:
Base-Base interactions energy: -113.683
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.168
local terms energy: -67.678040
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -13.117
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: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -152.915868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.915868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.915868 (E_RNA)
where:
Base-Base interactions energy: -104.126
where: short stacking energy: -49.873
Base-Backbone interact. energy: -0.301
local terms energy: -48.488586
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -9.025
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -12.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -77.575461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.575461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.575461 (E_RNA)
where:
Base-Base interactions energy: -24.353
where: short stacking energy: -22.707
Base-Backbone interact. energy: -0.328
local terms energy: -52.893694
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -1.727
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: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -79.272586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.272586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.272586 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -34.266
Base-Backbone interact. energy: -0.176
local terms energy: -44.829875
where:
bonds (distance) C4'-P energy: -3.896
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -8.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -80.966875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.966875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.966875 (E_RNA)
where:
Base-Base interactions energy: -32.569
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.287
local terms energy: -48.110389
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -8.208
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -211.169793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.169793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.169793 (E_RNA)
where:
Base-Base interactions energy: -131.393
where: short stacking energy: -69.940
Base-Backbone interact. energy: -1.428
local terms energy: -78.348885
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -12.170
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: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -194.888603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.888603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.888603 (E_RNA)
where:
Base-Base interactions energy: -125.976
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.091
local terms energy: -68.821913
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -14.894
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: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -205.762218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.762218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.762218 (E_RNA)
where:
Base-Base interactions energy: -130.447
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.003
local terms energy: -75.311649
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -14.060
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: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -198.361068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.361068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.361068 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -62.749
Base-Backbone interact. energy: -0.024
local terms energy: -70.294543
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -16.724
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: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -184.845309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.845309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.845309 (E_RNA)
where:
Base-Base interactions energy: -114.284
where: short stacking energy: -53.010
Base-Backbone interact. energy: -0.043
local terms energy: -70.518294
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -15.151
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: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -176.426502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.426502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.426502 (E_RNA)
where:
Base-Base interactions energy: -117.048
where: short stacking energy: -50.480
Base-Backbone interact. energy: 0.064
local terms energy: -59.443007
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -8.334
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -15.517
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: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -157.764481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.764481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.764481 (E_RNA)
where:
Base-Base interactions energy: -91.038
where: short stacking energy: -40.543
Base-Backbone interact. energy: -0.320
local terms energy: -66.406519
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -83.748029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.748029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.748029 (E_RNA)
where:
Base-Base interactions energy: -33.829
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.086
local terms energy: -49.833107
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -5.634
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -88.767549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.767549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.767549 (E_RNA)
where:
Base-Base interactions energy: -43.033
where: short stacking energy: -33.676
Base-Backbone interact. energy: -0.302
local terms energy: -45.432911
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -84.356469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.356469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.356469 (E_RNA)
where:
Base-Base interactions energy: -37.096
where: short stacking energy: -31.067
Base-Backbone interact. energy: -0.124
local terms energy: -47.137283
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -213.044508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.044508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.044508 (E_RNA)
where:
Base-Base interactions energy: -138.472
where: short stacking energy: -69.579
Base-Backbone interact. energy: -0.661
local terms energy: -73.911785
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -201.923535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.923535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.923535 (E_RNA)
where:
Base-Base interactions energy: -133.490
where: short stacking energy: -67.412
Base-Backbone interact. energy: -0.248
local terms energy: -68.185880
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -194.269451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.269451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.269451 (E_RNA)
where:
Base-Base interactions energy: -122.212
where: short stacking energy: -58.876
Base-Backbone interact. energy: -0.106
local terms energy: -71.950813
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -17.602
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: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -201.403972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.403972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.403972 (E_RNA)
where:
Base-Base interactions energy: -125.989
where: short stacking energy: -66.722
Base-Backbone interact. energy: -0.079
local terms energy: -75.335915
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -17.435
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: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -179.172353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.172353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.172353 (E_RNA)
where:
Base-Base interactions energy: -111.581
where: short stacking energy: -47.488
Base-Backbone interact. energy: 0.960
local terms energy: -68.551394
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -11.486
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: 265
Temperature: 1.150000
Total energy: -146.295749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.295749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.295749 (E_RNA)
where:
Base-Base interactions energy: -90.603
where: short stacking energy: -43.982
Base-Backbone interact. energy: -0.802
local terms energy: -54.891101
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -137.430939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.430939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.430939 (E_RNA)
where:
Base-Base interactions energy: -79.559
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.691
local terms energy: -57.181020
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -85.484106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.484106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.484106 (E_RNA)
where:
Base-Base interactions energy: -32.622
where: short stacking energy: -29.833
Base-Backbone interact. energy: -0.038
local terms energy: -52.824454
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -81.512593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.512593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.512593 (E_RNA)
where:
Base-Base interactions energy: -37.166
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.175
local terms energy: -44.170730
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -91.784451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.784451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.784451 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -35.775
Base-Backbone interact. energy: -0.036
local terms energy: -55.972903
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -10.337
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: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -211.010825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.010825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.010825 (E_RNA)
where:
Base-Base interactions energy: -128.029
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.001
local terms energy: -82.979948
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -212.741050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.741050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.741050 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.003
local terms energy: -74.476301
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -19.848
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: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -205.633359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.633359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.633359 (E_RNA)
where:
Base-Base interactions energy: -132.933
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.048
local terms energy: -72.653238
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -183.702416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.702416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.702416 (E_RNA)
where:
Base-Base interactions energy: -117.052
where: short stacking energy: -42.513
Base-Backbone interact. energy: -0.393
local terms energy: -66.257680
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -171.167486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.167486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.167486 (E_RNA)
where:
Base-Base interactions energy: -99.973
where: short stacking energy: -48.348
Base-Backbone interact. energy: -0.156
local terms energy: -71.038398
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -179.907647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.907647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.907647 (E_RNA)
where:
Base-Base interactions energy: -116.876
where: short stacking energy: -55.991
Base-Backbone interact. energy: 0.716
local terms energy: -63.747878
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -144.511250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.511250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.511250 (E_RNA)
where:
Base-Base interactions energy: -88.601
where: short stacking energy: -37.696
Base-Backbone interact. energy: -0.293
local terms energy: -55.617178
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -3.869
tors. eta vs tors. theta energy: -9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -84.835097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.835097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.835097 (E_RNA)
where:
Base-Base interactions energy: -29.818
where: short stacking energy: -28.075
Base-Backbone interact. energy: -0.030
local terms energy: -54.987177
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -2.121
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: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -92.646590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.646590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.646590 (E_RNA)
where:
Base-Base interactions energy: -46.815
where: short stacking energy: -26.951
Base-Backbone interact. energy: -0.658
local terms energy: -45.173558
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: 3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -75.067906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.067906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.067906 (E_RNA)
where:
Base-Base interactions energy: -29.724
where: short stacking energy: -23.228
Base-Backbone interact. energy: -0.128
local terms energy: -45.216023
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -211.608412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.608412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.608412 (E_RNA)
where:
Base-Base interactions energy: -137.560
where: short stacking energy: -69.580
Base-Backbone interact. energy: -0.102
local terms energy: -73.946267
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -208.062151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.062151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.062151 (E_RNA)
where:
Base-Base interactions energy: -132.018
where: short stacking energy: -71.452
Base-Backbone interact. energy: -0.005
local terms energy: -76.039791
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -20.115
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: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -207.749457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.749457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.749457 (E_RNA)
where:
Base-Base interactions energy: -135.679
where: short stacking energy: -75.988
Base-Backbone interact. energy: -0.591
local terms energy: -71.479149
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -9.361
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: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -202.144049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.144049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.144049 (E_RNA)
where:
Base-Base interactions energy: -127.092
where: short stacking energy: -58.407
Base-Backbone interact. energy: -0.061
local terms energy: -74.990882
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -169.200817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.200817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.200817 (E_RNA)
where:
Base-Base interactions energy: -103.160
where: short stacking energy: -55.018
Base-Backbone interact. energy: -0.012
local terms energy: -66.028500
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -171.529539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.529539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.529539 (E_RNA)
where:
Base-Base interactions energy: -107.256
where: short stacking energy: -55.988
Base-Backbone interact. energy: -0.011
local terms energy: -64.262853
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -163.001846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.001846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.001846 (E_RNA)
where:
Base-Base interactions energy: -102.505
where: short stacking energy: -40.016
Base-Backbone interact. energy: 0.095
local terms energy: -60.591513
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -10.071
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: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -99.321356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.321356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.321356 (E_RNA)
where:
Base-Base interactions energy: -37.116
where: short stacking energy: -37.116
Base-Backbone interact. energy: -0.093
local terms energy: -62.112405
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -78.025374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.025374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.025374 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -28.923
Base-Backbone interact. energy: -0.207
local terms energy: -48.895756
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -80.709402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.709402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.709402 (E_RNA)
where:
Base-Base interactions energy: -30.703
where: short stacking energy: -30.703
Base-Backbone interact. energy: -0.161
local terms energy: -49.845201
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -3.267
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: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -218.899225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.899225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.899225 (E_RNA)
where:
Base-Base interactions energy: -137.053
where: short stacking energy: -75.421
Base-Backbone interact. energy: -0.030
local terms energy: -81.816666
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -13.726
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: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -205.243903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.243903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.243903 (E_RNA)
where:
Base-Base interactions energy: -131.101
where: short stacking energy: -67.793
Base-Backbone interact. energy: 0.209
local terms energy: -74.352010
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -198.566274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.566274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.566274 (E_RNA)
where:
Base-Base interactions energy: -126.521
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.038
local terms energy: -72.007139
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -10.119
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: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -198.279747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.279747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.279747 (E_RNA)
where:
Base-Base interactions energy: -123.881
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.016
local terms energy: -74.382080
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -182.926968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.926968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.926968 (E_RNA)
where:
Base-Base interactions energy: -125.274
where: short stacking energy: -53.417
Base-Backbone interact. energy: -0.199
local terms energy: -57.454056
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -157.706038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.706038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.706038 (E_RNA)
where:
Base-Base interactions energy: -96.863
where: short stacking energy: -47.721
Base-Backbone interact. energy: -0.181
local terms energy: -60.661707
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -157.087461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.087461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.087461 (E_RNA)
where:
Base-Base interactions energy: -100.896
where: short stacking energy: -49.268
Base-Backbone interact. energy: 0.255
local terms energy: -56.446660
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -12.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -90.766841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.766841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.766841 (E_RNA)
where:
Base-Base interactions energy: -38.953
where: short stacking energy: -24.159
Base-Backbone interact. energy: -0.136
local terms energy: -51.677591
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -9.186
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: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -73.112692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.112692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.112692 (E_RNA)
where:
Base-Base interactions energy: -33.259
where: short stacking energy: -22.065
Base-Backbone interact. energy: -0.220
local terms energy: -39.633935
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -1.904
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -84.207340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207340 (E_RNA)
where:
Base-Base interactions energy: -36.607
where: short stacking energy: -34.158
Base-Backbone interact. energy: 0.261
local terms energy: -47.861108
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -4.329
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: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -222.623184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.623184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.623184 (E_RNA)
where:
Base-Base interactions energy: -140.868
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.582
local terms energy: -81.173023
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -22.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -208.686316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.686316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.686316 (E_RNA)
where:
Base-Base interactions energy: -143.380
where: short stacking energy: -67.113
Base-Backbone interact. energy: -0.004
local terms energy: -65.302575
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -20.374
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: 269
Temperature: 1.000000
Total energy: -200.379995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.379995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.379995 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -69.519
Base-Backbone interact. energy: 0.083
local terms energy: -79.947447
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -198.110117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.110117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.110117 (E_RNA)
where:
Base-Base interactions energy: -124.735
where: short stacking energy: -68.713
Base-Backbone interact. energy: -0.866
local terms energy: -72.509159
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -22.045
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: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -180.618660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.618660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.618660 (E_RNA)
where:
Base-Base interactions energy: -117.076
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.122
local terms energy: -63.420296
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -14.065
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: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -162.158516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.158516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.158516 (E_RNA)
where:
Base-Base interactions energy: -104.415
where: short stacking energy: -40.017
Base-Backbone interact. energy: -0.111
local terms energy: -57.632363
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -10.056
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: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -141.661829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.661829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.661829 (E_RNA)
where:
Base-Base interactions energy: -85.941
where: short stacking energy: -40.258
Base-Backbone interact. energy: -0.056
local terms energy: -55.663971
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -85.275636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275636 (E_RNA)
where:
Base-Base interactions energy: -33.608
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.455
local terms energy: -51.212692
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -74.728609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.728609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.728609 (E_RNA)
where:
Base-Base interactions energy: -24.098
where: short stacking energy: -24.098
Base-Backbone interact. energy: -0.224
local terms energy: -50.406267
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -88.386948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.386948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.386948 (E_RNA)
where:
Base-Base interactions energy: -38.919
where: short stacking energy: -30.877
Base-Backbone interact. energy: -0.120
local terms energy: -49.348266
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -4.763
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: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -220.484571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.484571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.484571 (E_RNA)
where:
Base-Base interactions energy: -142.347
where: short stacking energy: -74.660
Base-Backbone interact. energy: -0.363
local terms energy: -77.774545
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -20.637
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: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -209.732706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.732706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.732706 (E_RNA)
where:
Base-Base interactions energy: -136.203
where: short stacking energy: -66.363
Base-Backbone interact. energy: -0.001
local terms energy: -73.528083
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -19.773
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -205.874879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.874879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.874879 (E_RNA)
where:
Base-Base interactions energy: -132.924
where: short stacking energy: -73.620
Base-Backbone interact. energy: -0.085
local terms energy: -72.865956
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -20.917
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: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -200.434237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.434237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.434237 (E_RNA)
where:
Base-Base interactions energy: -130.158
where: short stacking energy: -62.484
Base-Backbone interact. energy: -0.009
local terms energy: -70.266871
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -196.737947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.737947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.737947 (E_RNA)
where:
Base-Base interactions energy: -129.777
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.099
local terms energy: -66.862108
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -14.511
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: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -158.264182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.264182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.264182 (E_RNA)
where:
Base-Base interactions energy: -104.055
where: short stacking energy: -48.892
Base-Backbone interact. energy: -0.449
local terms energy: -53.759913
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -9.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -130.059319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.059319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.059319 (E_RNA)
where:
Base-Base interactions energy: -73.528
where: short stacking energy: -39.912
Base-Backbone interact. energy: -0.158
local terms energy: -56.373515
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -114.038432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.038432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.038432 (E_RNA)
where:
Base-Base interactions energy: -60.525
where: short stacking energy: -32.604
Base-Backbone interact. energy: -0.684
local terms energy: -52.829242
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -85.188618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.188618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.188618 (E_RNA)
where:
Base-Base interactions energy: -31.205
where: short stacking energy: -28.005
Base-Backbone interact. energy: 0.611
local terms energy: -54.594377
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -5.490
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: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -79.149790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.149790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.149790 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -21.846
Base-Backbone interact. energy: -0.123
local terms energy: -49.632574
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -221.875400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.875400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.875400 (E_RNA)
where:
Base-Base interactions energy: -137.819
where: short stacking energy: -75.208
Base-Backbone interact. energy: -1.611
local terms energy: -82.445260
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -21.945
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: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -212.355221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.355221 (E_RNA)
where:
Base-Base interactions energy: -134.725
where: short stacking energy: -70.845
Base-Backbone interact. energy: 0.452
local terms energy: -78.082387
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -198.567547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.567547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.567547 (E_RNA)
where:
Base-Base interactions energy: -134.571
where: short stacking energy: -55.152
Base-Backbone interact. energy: -0.349
local terms energy: -63.647398
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -10.634
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: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -203.185786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.185786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.185786 (E_RNA)
where:
Base-Base interactions energy: -128.382
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.768
local terms energy: -74.036470
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -185.490250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.490250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.490250 (E_RNA)
where:
Base-Base interactions energy: -119.276
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.103
local terms energy: -66.111083
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -11.817
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: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -150.453253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.453253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.453253 (E_RNA)
where:
Base-Base interactions energy: -95.708
where: short stacking energy: -49.920
Base-Backbone interact. energy: -0.393
local terms energy: -54.352122
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -5.032
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: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -145.548955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.548955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.548955 (E_RNA)
where:
Base-Base interactions energy: -97.479
where: short stacking energy: -47.289
Base-Backbone interact. energy: -0.266
local terms energy: -47.804047
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -7.672
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -132.665169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.665169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.665169 (E_RNA)
where:
Base-Base interactions energy: -80.548
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.091
local terms energy: -52.026348
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -88.452904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.452904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.452904 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -35.892
Base-Backbone interact. energy: -0.069
local terms energy: -52.491257
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -76.640690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.640690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.640690 (E_RNA)
where:
Base-Base interactions energy: -27.617
where: short stacking energy: -27.617
Base-Backbone interact. energy: -0.059
local terms energy: -48.965059
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -3.669
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: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -201.600910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.600910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.600910 (E_RNA)
where:
Base-Base interactions energy: -133.125
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.023
local terms energy: -68.453098
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -12.648
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: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -211.168102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.168102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.168102 (E_RNA)
where:
Base-Base interactions energy: -131.986
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.002
local terms energy: -79.180152
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -213.477663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.477663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.477663 (E_RNA)
where:
Base-Base interactions energy: -133.898
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.077
local terms energy: -79.502414
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -191.572779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.572779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.572779 (E_RNA)
where:
Base-Base interactions energy: -120.679
where: short stacking energy: -52.713
Base-Backbone interact. energy: -0.002
local terms energy: -70.891912
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -12.654
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: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -185.476459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.476459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.476459 (E_RNA)
where:
Base-Base interactions energy: -119.873
where: short stacking energy: -53.132
Base-Backbone interact. energy: 0.552
local terms energy: -66.155399
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -139.787700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.787700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.787700 (E_RNA)
where:
Base-Base interactions energy: -79.309
where: short stacking energy: -44.844
Base-Backbone interact. energy: -1.284
local terms energy: -59.195282
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -145.866537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.866537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.866537 (E_RNA)
where:
Base-Base interactions energy: -96.509
where: short stacking energy: -36.200
Base-Backbone interact. energy: -0.175
local terms energy: -49.182231
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -7.865
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: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -123.505939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.505939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.505939 (E_RNA)
where:
Base-Base interactions energy: -74.898
where: short stacking energy: -44.758
Base-Backbone interact. energy: -0.030
local terms energy: -48.577646
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -2.563
tors. eta vs tors. theta energy: -8.854
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: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -82.214701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.214701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.214701 (E_RNA)
where:
Base-Base interactions energy: -31.277
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.059
local terms energy: -50.879209
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -9.626
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: 272
Temperature: 1.350000
Total energy: -98.884142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.884142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.884142 (E_RNA)
where:
Base-Base interactions energy: -40.185
where: short stacking energy: -40.185
Base-Backbone interact. energy: -0.134
local terms energy: -58.565546
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -7.840
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -218.008440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.008440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.008440 (E_RNA)
where:
Base-Base interactions energy: -138.496
where: short stacking energy: -74.475
Base-Backbone interact. energy: -0.101
local terms energy: -79.411747
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -20.208
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: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -210.705808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.705808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.705808 (E_RNA)
where:
Base-Base interactions energy: -130.926
where: short stacking energy: -70.908
Base-Backbone interact. energy: 0.144
local terms energy: -79.924026
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -191.740505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.740505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.740505 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -68.007
Base-Backbone interact. energy: -0.138
local terms energy: -65.271565
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -194.653246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.653246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.653246 (E_RNA)
where:
Base-Base interactions energy: -128.980
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.310
local terms energy: -65.363257
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -16.442
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: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -185.505238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.505238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.505238 (E_RNA)
where:
Base-Base interactions energy: -120.933
where: short stacking energy: -54.279
Base-Backbone interact. energy: -0.035
local terms energy: -64.537550
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -169.022906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.022906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.022906 (E_RNA)
where:
Base-Base interactions energy: -104.894
where: short stacking energy: -52.942
Base-Backbone interact. energy: -0.245
local terms energy: -63.883723
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -135.485967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.485967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.485967 (E_RNA)
where:
Base-Base interactions energy: -78.885
where: short stacking energy: -43.484
Base-Backbone interact. energy: -0.055
local terms energy: -56.545782
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -9.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -87.460655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.460655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.460655 (E_RNA)
where:
Base-Base interactions energy: -41.771
where: short stacking energy: -29.254
Base-Backbone interact. energy: -0.116
local terms energy: -45.574215
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -6.159
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -3.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -76.820161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.820161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.820161 (E_RNA)
where:
Base-Base interactions energy: -22.173
where: short stacking energy: -17.765
Base-Backbone interact. energy: -0.868
local terms energy: -53.779270
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -76.318479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.318479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.318479 (E_RNA)
where:
Base-Base interactions energy: -30.324
where: short stacking energy: -27.896
Base-Backbone interact. energy: -0.117
local terms energy: -45.877127
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -223.034332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.034332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.034332 (E_RNA)
where:
Base-Base interactions energy: -139.479
where: short stacking energy: -79.820
Base-Backbone interact. energy: -0.242
local terms energy: -83.313090
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -22.579
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: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -186.618697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.618697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.618697 (E_RNA)
where:
Base-Base interactions energy: -128.476
where: short stacking energy: -44.862
Base-Backbone interact. energy: -0.427
local terms energy: -57.715396
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -205.293842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.293842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.293842 (E_RNA)
where:
Base-Base interactions energy: -132.872
where: short stacking energy: -67.317
Base-Backbone interact. energy: -0.098
local terms energy: -72.323232
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -18.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -205.058579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.058579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.058579 (E_RNA)
where:
Base-Base interactions energy: -130.703
where: short stacking energy: -70.458
Base-Backbone interact. energy: -0.001
local terms energy: -74.354632
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -184.080290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.080290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.080290 (E_RNA)
where:
Base-Base interactions energy: -119.439
where: short stacking energy: -54.283
Base-Backbone interact. energy: -0.448
local terms energy: -64.193611
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -183.663688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.663688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.663688 (E_RNA)
where:
Base-Base interactions energy: -116.033
where: short stacking energy: -42.692
Base-Backbone interact. energy: -0.198
local terms energy: -67.432167
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -142.354058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.354058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.354058 (E_RNA)
where:
Base-Base interactions energy: -89.054
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.402
local terms energy: -52.898032
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -82.552546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.552546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.552546 (E_RNA)
where:
Base-Base interactions energy: -27.963
where: short stacking energy: -27.963
Base-Backbone interact. energy: -0.119
local terms energy: -54.469913
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -4.300
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: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -85.900520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.900520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.900520 (E_RNA)
where:
Base-Base interactions energy: -36.210
where: short stacking energy: -23.455
Base-Backbone interact. energy: -0.117
local terms energy: -49.574180
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: 5.094
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: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -75.924893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.924893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.924893 (E_RNA)
where:
Base-Base interactions energy: -23.694
where: short stacking energy: -23.694
Base-Backbone interact. energy: 0.598
local terms energy: -52.829411
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -0.267
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: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -219.431697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.431697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.431697 (E_RNA)
where:
Base-Base interactions energy: -137.880
where: short stacking energy: -73.899
Base-Backbone interact. energy: -0.390
local terms energy: -81.160989
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -21.797
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: 275
Temperature: 0.950000
Total energy: -206.619027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.619027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.619027 (E_RNA)
where:
Base-Base interactions energy: -132.730
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.098
local terms energy: -73.790921
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -21.055
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: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -187.914251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.914251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.914251 (E_RNA)
where:
Base-Base interactions energy: -118.643
where: short stacking energy: -58.815
Base-Backbone interact. energy: 0.528
local terms energy: -69.799343
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -14.270
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: 275
Temperature: 1.050000
Total energy: -194.440492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.440492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.440492 (E_RNA)
where:
Base-Base interactions energy: -127.446
where: short stacking energy: -57.864
Base-Backbone interact. energy: -0.001
local terms energy: -66.993240
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -17.013
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: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -178.460539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.460539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.460539 (E_RNA)
where:
Base-Base interactions energy: -113.271
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.472
local terms energy: -64.716862
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -177.576337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.576337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.576337 (E_RNA)
where:
Base-Base interactions energy: -117.073
where: short stacking energy: -51.192
Base-Backbone interact. energy: -1.167
local terms energy: -59.335586
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -8.191
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -93.417731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.417731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.417731 (E_RNA)
where:
Base-Base interactions energy: -44.630
where: short stacking energy: -39.264
Base-Backbone interact. energy: -0.739
local terms energy: -48.049035
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -4.156
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: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -97.010553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.010553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.010553 (E_RNA)
where:
Base-Base interactions energy: -44.422
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.319
local terms energy: -52.269090
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -1.769
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: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -96.774750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.774750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.774750 (E_RNA)
where:
Base-Base interactions energy: -43.431
where: short stacking energy: -39.063
Base-Backbone interact. energy: 0.730
local terms energy: -54.073625
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -6.630
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: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -75.919210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.919210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.919210 (E_RNA)
where:
Base-Base interactions energy: -29.716
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.097
local terms energy: -46.105752
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -219.859428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.859428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.859428 (E_RNA)
where:
Base-Base interactions energy: -146.163
where: short stacking energy: -77.169
Base-Backbone interact. energy: -0.005
local terms energy: -73.691110
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -199.769525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.769525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.769525 (E_RNA)
where:
Base-Base interactions energy: -127.463
where: short stacking energy: -62.771
Base-Backbone interact. energy: -0.101
local terms energy: -72.205815
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -18.586
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: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -201.541796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.541796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.541796 (E_RNA)
where:
Base-Base interactions energy: -127.861
where: short stacking energy: -63.366
Base-Backbone interact. energy: 0.711
local terms energy: -74.392430
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -191.487515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.487515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.487515 (E_RNA)
where:
Base-Base interactions energy: -120.606
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.005
local terms energy: -70.876431
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -168.693227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.693227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.693227 (E_RNA)
where:
Base-Base interactions energy: -105.785
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.038
local terms energy: -62.869543
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -11.272
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: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -165.667267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.667267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.667267 (E_RNA)
where:
Base-Base interactions energy: -102.894
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.039
local terms energy: -62.734566
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -16.909
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: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -96.944232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.944232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.944232 (E_RNA)
where:
Base-Base interactions energy: -42.923
where: short stacking energy: -38.214
Base-Backbone interact. energy: -0.008
local terms energy: -54.013136
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -84.525284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.525284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.525284 (E_RNA)
where:
Base-Base interactions energy: -32.252
where: short stacking energy: -31.344
Base-Backbone interact. energy: -0.186
local terms energy: -52.087516
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -2.144
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: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -87.312886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.312886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.312886 (E_RNA)
where:
Base-Base interactions energy: -30.607
where: short stacking energy: -30.607
Base-Backbone interact. energy: -0.237
local terms energy: -56.468919
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -80.252004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.252004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.252004 (E_RNA)
where:
Base-Base interactions energy: -31.823
where: short stacking energy: -24.814
Base-Backbone interact. energy: -0.704
local terms energy: -47.725878
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: 2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -214.749015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.749015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.749015 (E_RNA)
where:
Base-Base interactions energy: -142.356
where: short stacking energy: -68.555
Base-Backbone interact. energy: -0.003
local terms energy: -72.389917
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -18.989
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -207.294730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.294730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.294730 (E_RNA)
where:
Base-Base interactions energy: -136.728
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.002
local terms energy: -70.565601
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -17.934
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: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -196.899756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.899756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.899756 (E_RNA)
where:
Base-Base interactions energy: -125.587
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.172
local terms energy: -71.140232
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -184.266776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.266776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.266776 (E_RNA)
where:
Base-Base interactions energy: -121.385
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.122
local terms energy: -62.759395
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -6.759
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: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -197.140888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.140888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.140888 (E_RNA)
where:
Base-Base interactions energy: -126.687
where: short stacking energy: -75.121
Base-Backbone interact. energy: -0.062
local terms energy: -70.391980
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -90.081576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.081576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.081576 (E_RNA)
where:
Base-Base interactions energy: -39.220
where: short stacking energy: -39.220
Base-Backbone interact. energy: -0.082
local terms energy: -50.778863
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -159.467649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.467649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.467649 (E_RNA)
where:
Base-Base interactions energy: -97.861
where: short stacking energy: -56.700
Base-Backbone interact. energy: -0.110
local terms energy: -61.497020
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -10.273
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -93.544865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.544865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.544865 (E_RNA)
where:
Base-Base interactions energy: -34.899
where: short stacking energy: -34.899
Base-Backbone interact. energy: -0.117
local terms energy: -58.528730
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -6.552
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: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -83.484999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.484999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.484999 (E_RNA)
where:
Base-Base interactions energy: -35.051
where: short stacking energy: -30.173
Base-Backbone interact. energy: -0.048
local terms energy: -48.386753
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -76.084701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.084701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.084701 (E_RNA)
where:
Base-Base interactions energy: -34.368
where: short stacking energy: -34.368
Base-Backbone interact. energy: -0.173
local terms energy: -41.544122
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -7.443
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -4.268
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: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -222.362665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.362665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.362665 (E_RNA)
where:
Base-Base interactions energy: -142.857
where: short stacking energy: -76.452
Base-Backbone interact. energy: -0.167
local terms energy: -79.339090
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -20.790
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: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -205.630325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.630325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.630325 (E_RNA)
where:
Base-Base interactions energy: -127.720
where: short stacking energy: -66.856
Base-Backbone interact. energy: -0.100
local terms energy: -77.810452
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -193.720597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.720597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.720597 (E_RNA)
where:
Base-Base interactions energy: -126.167
where: short stacking energy: -54.912
Base-Backbone interact. energy: -0.364
local terms energy: -67.190205
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -18.529
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: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -199.188866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.188866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.188866 (E_RNA)
where:
Base-Base interactions energy: -135.623
where: short stacking energy: -62.236
Base-Backbone interact. energy: 1.763
local terms energy: -65.328994
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -14.844
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: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -203.679885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.679885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.679885 (E_RNA)
where:
Base-Base interactions energy: -126.914
where: short stacking energy: -70.826
Base-Backbone interact. energy: -2.162
local terms energy: -74.603310
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -87.588784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.588784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.588784 (E_RNA)
where:
Base-Base interactions energy: -29.281
where: short stacking energy: -21.946
Base-Backbone interact. energy: -1.380
local terms energy: -56.927804
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -3.710
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: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -143.572785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.572785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.572785 (E_RNA)
where:
Base-Base interactions energy: -89.886
where: short stacking energy: -40.925
Base-Backbone interact. energy: -0.819
local terms energy: -52.867124
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -86.710601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.710601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.710601 (E_RNA)
where:
Base-Base interactions energy: -33.562
where: short stacking energy: -33.562
Base-Backbone interact. energy: -0.215
local terms energy: -52.934350
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -8.159
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: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -77.468225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.468225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.468225 (E_RNA)
where:
Base-Base interactions energy: -31.716
where: short stacking energy: -32.016
Base-Backbone interact. energy: 0.997
local terms energy: -46.749845
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -8.295
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -74.786773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.786773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.786773 (E_RNA)
where:
Base-Base interactions energy: -18.042
where: short stacking energy: -17.062
Base-Backbone interact. energy: -0.296
local terms energy: -56.448462
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -216.964949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.964949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.964949 (E_RNA)
where:
Base-Base interactions energy: -142.972
where: short stacking energy: -73.681
Base-Backbone interact. energy: -0.197
local terms energy: -73.795542
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -19.229
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: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -203.940737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.940737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.940737 (E_RNA)
where:
Base-Base interactions energy: -125.188
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.112
local terms energy: -78.641009
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -207.252699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.252699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.252699 (E_RNA)
where:
Base-Base interactions energy: -137.597
where: short stacking energy: -66.943
Base-Backbone interact. energy: -0.513
local terms energy: -69.142683
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -5.286
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: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -189.943377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.943377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.943377 (E_RNA)
where:
Base-Base interactions energy: -128.839
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.094
local terms energy: -61.010386
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -183.529757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.529757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.529757 (E_RNA)
where:
Base-Base interactions energy: -115.208
where: short stacking energy: -50.933
Base-Backbone interact. energy: -0.017
local terms energy: -68.304958
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -13.464
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: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -172.970951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.970951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.970951 (E_RNA)
where:
Base-Base interactions energy: -109.494
where: short stacking energy: -66.170
Base-Backbone interact. energy: 1.674
local terms energy: -65.150500
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -13.182
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: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -92.242190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.242190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.242190 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -35.668
Base-Backbone interact. energy: 0.106
local terms energy: -53.603674
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -79.753694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.753694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.753694 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.264
local terms energy: -53.805901
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -77.476948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.476948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.476948 (E_RNA)
where:
Base-Base interactions energy: -28.386
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.082
local terms energy: -49.008786
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: 1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -93.230512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.230512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.230512 (E_RNA)
where:
Base-Base interactions energy: -43.223
where: short stacking energy: -40.054
Base-Backbone interact. energy: -0.215
local terms energy: -49.793130
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -207.702518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.702518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.702518 (E_RNA)
where:
Base-Base interactions energy: -140.409
where: short stacking energy: -57.299
Base-Backbone interact. energy: -0.092
local terms energy: -67.201259
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -216.892294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.892294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.892294 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.041
local terms energy: -82.496748
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -200.793204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.793204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.793204 (E_RNA)
where:
Base-Base interactions energy: -126.106
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.066
local terms energy: -74.621185
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -165.041717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.041717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.041717 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -53.989
Base-Backbone interact. energy: -0.212
local terms energy: -64.118790
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -9.911
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: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -189.664282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.664282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.664282 (E_RNA)
where:
Base-Base interactions energy: -123.767
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.264
local terms energy: -65.633616
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -157.419767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.419767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.419767 (E_RNA)
where:
Base-Base interactions energy: -92.040
where: short stacking energy: -51.346
Base-Backbone interact. energy: -0.109
local terms energy: -65.270259
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -91.031561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.031561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.031561 (E_RNA)
where:
Base-Base interactions energy: -36.988
where: short stacking energy: -36.988
Base-Backbone interact. energy: -0.057
local terms energy: -53.986391
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -82.890320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.890320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.890320 (E_RNA)
where:
Base-Base interactions energy: -27.082
where: short stacking energy: -22.458
Base-Backbone interact. energy: -0.139
local terms energy: -55.669134
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.608
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: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -78.405647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.405647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.405647 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -21.197
Base-Backbone interact. energy: 1.716
local terms energy: -50.559759
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -73.040123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.040123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.040123 (E_RNA)
where:
Base-Base interactions energy: -21.262
where: short stacking energy: -21.007
Base-Backbone interact. energy: -0.136
local terms energy: -51.642584
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -217.538996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.538996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.538996 (E_RNA)
where:
Base-Base interactions energy: -142.685
where: short stacking energy: -70.330
Base-Backbone interact. energy: -0.008
local terms energy: -74.846156
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -208.256112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.256112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.256112 (E_RNA)
where:
Base-Base interactions energy: -132.337
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.303
local terms energy: -75.616187
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -198.199152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.199152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.199152 (E_RNA)
where:
Base-Base interactions energy: -127.052
where: short stacking energy: -61.676
Base-Backbone interact. energy: 0.148
local terms energy: -71.295057
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -192.432821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.432821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.432821 (E_RNA)
where:
Base-Base interactions energy: -122.284
where: short stacking energy: -60.024
Base-Backbone interact. energy: -0.109
local terms energy: -70.039850
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -185.737873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.737873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.737873 (E_RNA)
where:
Base-Base interactions energy: -123.287
where: short stacking energy: -56.077
Base-Backbone interact. energy: 1.066
local terms energy: -63.516844
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -152.694184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.694184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.694184 (E_RNA)
where:
Base-Base interactions energy: -93.120
where: short stacking energy: -48.130
Base-Backbone interact. energy: -0.141
local terms energy: -59.432999
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -92.973046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.973046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.973046 (E_RNA)
where:
Base-Base interactions energy: -35.573
where: short stacking energy: -35.573
Base-Backbone interact. energy: -0.112
local terms energy: -57.287735
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -7.865
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: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -79.248525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.248525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.248525 (E_RNA)
where:
Base-Base interactions energy: -28.141
where: short stacking energy: -28.141
Base-Backbone interact. energy: -0.383
local terms energy: -50.724563
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -8.433
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: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -76.764855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.764855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.764855 (E_RNA)
where:
Base-Base interactions energy: -33.997
where: short stacking energy: -33.997
Base-Backbone interact. energy: 1.527
local terms energy: -44.294541
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: 3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -72.684461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.684461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.684461 (E_RNA)
where:
Base-Base interactions energy: -29.181
where: short stacking energy: -29.181
Base-Backbone interact. energy: 0.112
local terms energy: -43.615156
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -3.008
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: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -203.251029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.251029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.251029 (E_RNA)
where:
Base-Base interactions energy: -132.113
where: short stacking energy: -61.086
Base-Backbone interact. energy: -0.084
local terms energy: -71.053455
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -215.634206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.634206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.634206 (E_RNA)
where:
Base-Base interactions energy: -139.137
where: short stacking energy: -71.810
Base-Backbone interact. energy: -0.186
local terms energy: -76.311105
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -22.252
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: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -197.315399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.315399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.315399 (E_RNA)
where:
Base-Base interactions energy: -131.154
where: short stacking energy: -56.233
Base-Backbone interact. energy: -0.051
local terms energy: -66.110515
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -13.087
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: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -191.076509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.076509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.076509 (E_RNA)
where:
Base-Base interactions energy: -114.684
where: short stacking energy: -53.126
Base-Backbone interact. energy: -0.589
local terms energy: -75.803297
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -207.538799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.538799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.538799 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -71.531
Base-Backbone interact. energy: -0.000
local terms energy: -73.895553
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -173.320414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.320414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.320414 (E_RNA)
where:
Base-Base interactions energy: -116.127
where: short stacking energy: -56.078
Base-Backbone interact. energy: -0.689
local terms energy: -56.504397
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -9.904
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: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -90.667637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.667637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.667637 (E_RNA)
where:
Base-Base interactions energy: -41.290
where: short stacking energy: -36.618
Base-Backbone interact. energy: -0.358
local terms energy: -49.019583
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -101.304579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.304579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.304579 (E_RNA)
where:
Base-Base interactions energy: -42.400
where: short stacking energy: -42.400
Base-Backbone interact. energy: -0.125
local terms energy: -58.779568
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -10.213
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: 282
Temperature: 1.300000
Total energy: -102.770234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.770234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.770234 (E_RNA)
where:
Base-Base interactions energy: -48.652
where: short stacking energy: -25.156
Base-Backbone interact. energy: -0.073
local terms energy: -54.044906
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -75.644485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.644485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.644485 (E_RNA)
where:
Base-Base interactions energy: -27.662
where: short stacking energy: -27.073
Base-Backbone interact. energy: -0.015
local terms energy: -47.967883
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -7.644
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: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -201.865192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.865192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.865192 (E_RNA)
where:
Base-Base interactions energy: -132.216
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.080
local terms energy: -69.569401
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -17.367
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: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -217.586131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.586131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.586131 (E_RNA)
where:
Base-Base interactions energy: -142.680
where: short stacking energy: -72.382
Base-Backbone interact. energy: -0.974
local terms energy: -73.932698
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -207.988211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.988211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.988211 (E_RNA)
where:
Base-Base interactions energy: -132.571
where: short stacking energy: -64.591
Base-Backbone interact. energy: -0.652
local terms energy: -74.765167
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -199.594154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.594154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.594154 (E_RNA)
where:
Base-Base interactions energy: -122.088
where: short stacking energy: -64.362
Base-Backbone interact. energy: -0.030
local terms energy: -77.476315
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -191.375856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.375856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.375856 (E_RNA)
where:
Base-Base interactions energy: -123.869
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.010
local terms energy: -67.496979
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -174.215578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.215578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.215578 (E_RNA)
where:
Base-Base interactions energy: -116.948
where: short stacking energy: -55.809
Base-Backbone interact. energy: -0.784
local terms energy: -56.483583
where:
bonds (distance) C4'-P energy: -6.585
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -9.400
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: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -99.757933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.757933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.757933 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -33.098
Base-Backbone interact. energy: -0.310
local terms energy: -61.586658
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -7.087
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: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -84.301772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.301772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.301772 (E_RNA)
where:
Base-Base interactions energy: -33.163
where: short stacking energy: -21.317
Base-Backbone interact. energy: -0.190
local terms energy: -50.949585
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -75.455921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.455921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.455921 (E_RNA)
where:
Base-Base interactions energy: -26.287
where: short stacking energy: -21.915
Base-Backbone interact. energy: -0.196
local terms energy: -48.973195
where:
bonds (distance) C4'-P energy: -8.067
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -84.422818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.422818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.422818 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -30.588
Base-Backbone interact. energy: -0.236
local terms energy: -53.598387
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -3.968
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: 284
Temperature: 0.900000
Total energy: -200.381585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.381585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.381585 (E_RNA)
where:
Base-Base interactions energy: -124.674
where: short stacking energy: -62.752
Base-Backbone interact. energy: -0.007
local terms energy: -75.700055
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -15.397
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: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -203.126888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.126888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.126888 (E_RNA)
where:
Base-Base interactions energy: -127.511
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.002
local terms energy: -75.613552
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -17.967
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: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -205.858211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.858211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.858211 (E_RNA)
where:
Base-Base interactions energy: -131.218
where: short stacking energy: -74.209
Base-Backbone interact. energy: -0.239
local terms energy: -74.401658
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -202.490936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.490936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.490936 (E_RNA)
where:
Base-Base interactions energy: -129.783
where: short stacking energy: -71.929
Base-Backbone interact. energy: -0.002
local terms energy: -72.706163
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -183.869101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.869101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.869101 (E_RNA)
where:
Base-Base interactions energy: -117.797
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.073
local terms energy: -65.998825
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -185.683058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.683058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.683058 (E_RNA)
where:
Base-Base interactions energy: -125.074
where: short stacking energy: -57.145
Base-Backbone interact. energy: -0.676
local terms energy: -59.933247
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -4.682
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -103.006774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.006774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.006774 (E_RNA)
where:
Base-Base interactions energy: -50.030
where: short stacking energy: -48.576
Base-Backbone interact. energy: -0.095
local terms energy: -52.881932
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -7.274
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -83.549579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.549579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.549579 (E_RNA)
where:
Base-Base interactions energy: -32.204
where: short stacking energy: -30.902
Base-Backbone interact. energy: 0.018
local terms energy: -51.363682
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -93.253569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.253569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.253569 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.163
local terms energy: -53.300795
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -69.543617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.543617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.543617 (E_RNA)
where:
Base-Base interactions energy: -25.632
where: short stacking energy: -23.541
Base-Backbone interact. energy: -0.517
local terms energy: -43.394766
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: 2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -202.944564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.944564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.944564 (E_RNA)
where:
Base-Base interactions energy: -124.862
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.100
local terms energy: -77.982649
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -211.896578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.896578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.896578 (E_RNA)
where:
Base-Base interactions energy: -132.788
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.214
local terms energy: -78.894568
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -200.800927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.800927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.800927 (E_RNA)
where:
Base-Base interactions energy: -129.335
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.330
local terms energy: -71.135578
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -184.044657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.044657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.044657 (E_RNA)
where:
Base-Base interactions energy: -118.321
where: short stacking energy: -49.421
Base-Backbone interact. energy: -0.003
local terms energy: -65.721177
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -197.348588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.348588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.348588 (E_RNA)
where:
Base-Base interactions energy: -124.317
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.174
local terms energy: -72.857667
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -190.480130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.480130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.480130 (E_RNA)
where:
Base-Base interactions energy: -127.369
where: short stacking energy: -67.208
Base-Backbone interact. energy: -0.038
local terms energy: -63.072854
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -7.031
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -17.277
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: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -95.146775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.146775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.146775 (E_RNA)
where:
Base-Base interactions energy: -34.563
where: short stacking energy: -34.563
Base-Backbone interact. energy: -1.001
local terms energy: -59.582953
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -4.896
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: 8, replica: 7
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -108.208820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.208820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.208820 (E_RNA)
where:
Base-Base interactions energy: -55.298
where: short stacking energy: -30.593
Base-Backbone interact. energy: -0.048
local terms energy: -52.863328
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -5.507
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: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -83.479986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.479986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.479986 (E_RNA)
where:
Base-Base interactions energy: -40.913
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.329
local terms energy: -42.237968
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -86.421096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.421096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.421096 (E_RNA)
where:
Base-Base interactions energy: -38.898
where: short stacking energy: -23.077
Base-Backbone interact. energy: 2.407
local terms energy: -49.929981
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -215.716906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.716906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.716906 (E_RNA)
where:
Base-Base interactions energy: -141.289
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.045
local terms energy: -74.383430
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -20.296
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: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -195.893183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.893183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.893183 (E_RNA)
where:
Base-Base interactions energy: -125.746
where: short stacking energy: -62.536
Base-Backbone interact. energy: -0.216
local terms energy: -69.931187
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -15.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -200.751935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.751935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.751935 (E_RNA)
where:
Base-Base interactions energy: -127.787
where: short stacking energy: -57.918
Base-Backbone interact. energy: 0.804
local terms energy: -73.768688
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -190.390295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.390295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.390295 (E_RNA)
where:
Base-Base interactions energy: -123.621
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.022
local terms energy: -66.747108
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -177.723548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.723548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.723548 (E_RNA)
where:
Base-Base interactions energy: -105.660
where: short stacking energy: -52.678
Base-Backbone interact. energy: -1.088
local terms energy: -70.975531
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -10.968
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: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -177.982656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.982656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.982656 (E_RNA)
where:
Base-Base interactions energy: -112.335
where: short stacking energy: -53.332
Base-Backbone interact. energy: -0.291
local terms energy: -65.356583
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -15.479
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: 286
Temperature: 1.200000
Total energy: -140.300404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.300404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.300404 (E_RNA)
where:
Base-Base interactions energy: -74.078
where: short stacking energy: -42.310
Base-Backbone interact. energy: -0.109
local terms energy: -66.113229
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -10.970
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: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -83.671187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.671187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.671187 (E_RNA)
where:
Base-Base interactions energy: -25.052
where: short stacking energy: -22.951
Base-Backbone interact. energy: -0.054
local terms energy: -58.564929
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -4.868
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: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -72.250007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.250007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.250007 (E_RNA)
where:
Base-Base interactions energy: -23.699
where: short stacking energy: -8.665
Base-Backbone interact. energy: 1.516
local terms energy: -50.066624
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -77.451644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.451644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.451644 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -36.273
Base-Backbone interact. energy: 1.047
local terms energy: -42.225217
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -207.310908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.310908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.310908 (E_RNA)
where:
Base-Base interactions energy: -130.066
where: short stacking energy: -69.129
Base-Backbone interact. energy: -0.041
local terms energy: -77.203965
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -198.193186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.193186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.193186 (E_RNA)
where:
Base-Base interactions energy: -124.877
where: short stacking energy: -61.578
Base-Backbone interact. energy: -0.093
local terms energy: -73.223365
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -196.526641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.526641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.526641 (E_RNA)
where:
Base-Base interactions energy: -127.270
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.118
local terms energy: -69.138559
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -186.967557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.967557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.967557 (E_RNA)
where:
Base-Base interactions energy: -126.023
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.508
local terms energy: -60.436162
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -182.736500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.736500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.736500 (E_RNA)
where:
Base-Base interactions energy: -115.506
where: short stacking energy: -49.570
Base-Backbone interact. energy: -0.574
local terms energy: -66.655825
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -12.247
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: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -171.950788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.950788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.950788 (E_RNA)
where:
Base-Base interactions energy: -104.424
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.009
local terms energy: -67.518051
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -168.465142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.465142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.465142 (E_RNA)
where:
Base-Base interactions energy: -104.344
where: short stacking energy: -52.188
Base-Backbone interact. energy: -0.106
local terms energy: -64.015842
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -12.590
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: 287
Temperature: 1.250000
Total energy: -90.415781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415781 (E_RNA)
where:
Base-Base interactions energy: -36.185
where: short stacking energy: -35.388
Base-Backbone interact. energy: -0.009
local terms energy: -54.221740
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -1.775
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: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -80.384510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.384510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.384510 (E_RNA)
where:
Base-Base interactions energy: -30.753
where: short stacking energy: -30.753
Base-Backbone interact. energy: -0.015
local terms energy: -49.616170
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -75.041022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.041022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.041022 (E_RNA)
where:
Base-Base interactions energy: -33.207
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.327
local terms energy: -41.507700
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -212.332974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.332974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.332974 (E_RNA)
where:
Base-Base interactions energy: -141.777
where: short stacking energy: -71.329
Base-Backbone interact. energy: 0.808
local terms energy: -71.364750
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -19.330
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: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -205.944271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.944271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.944271 (E_RNA)
where:
Base-Base interactions energy: -125.284
where: short stacking energy: -60.203
Base-Backbone interact. energy: -0.023
local terms energy: -80.637664
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -202.245809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.245809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.245809 (E_RNA)
where:
Base-Base interactions energy: -130.437
where: short stacking energy: -67.704
Base-Backbone interact. energy: -0.017
local terms energy: -71.791380
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -11.352
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: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -193.986364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.986364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.986364 (E_RNA)
where:
Base-Base interactions energy: -125.073
where: short stacking energy: -65.494
Base-Backbone interact. energy: -0.031
local terms energy: -68.882476
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -16.460
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: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -168.458573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.458573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.458573 (E_RNA)
where:
Base-Base interactions energy: -106.290
where: short stacking energy: -58.032
Base-Backbone interact. energy: 0.231
local terms energy: -62.399694
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -11.941
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: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -159.747209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.747209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.747209 (E_RNA)
where:
Base-Base interactions energy: -101.694
where: short stacking energy: -44.994
Base-Backbone interact. energy: 0.009
local terms energy: -58.062305
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -9.012
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: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -179.109975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.109975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.109975 (E_RNA)
where:
Base-Base interactions energy: -120.058
where: short stacking energy: -51.036
Base-Backbone interact. energy: -0.534
local terms energy: -58.518071
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -12.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -95.640920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.640920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.640920 (E_RNA)
where:
Base-Base interactions energy: -43.831
where: short stacking energy: -32.887
Base-Backbone interact. energy: -0.004
local terms energy: -51.805744
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -77.604924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.604924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.604924 (E_RNA)
where:
Base-Base interactions energy: -23.865
where: short stacking energy: -23.865
Base-Backbone interact. energy: -0.299
local terms energy: -53.441448
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -0.765
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: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -79.703075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.703075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.703075 (E_RNA)
where:
Base-Base interactions energy: -28.424
where: short stacking energy: -28.424
Base-Backbone interact. energy: 0.161
local terms energy: -51.440346
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -4.045
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: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -210.539512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.539512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.539512 (E_RNA)
where:
Base-Base interactions energy: -133.077
where: short stacking energy: -62.510
Base-Backbone interact. energy: -0.560
local terms energy: -76.903158
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -13.343
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: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -207.571931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.571931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.571931 (E_RNA)
where:
Base-Base interactions energy: -138.983
where: short stacking energy: -71.161
Base-Backbone interact. energy: -0.111
local terms energy: -68.478896
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -204.607434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.607434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.607434 (E_RNA)
where:
Base-Base interactions energy: -131.145
where: short stacking energy: -64.639
Base-Backbone interact. energy: 1.479
local terms energy: -74.941652
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -192.312396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.312396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.312396 (E_RNA)
where:
Base-Base interactions energy: -125.901
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.118
local terms energy: -66.293792
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -192.580655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.580655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.580655 (E_RNA)
where:
Base-Base interactions energy: -119.404
where: short stacking energy: -66.496
Base-Backbone interact. energy: -2.069
local terms energy: -71.107145
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -195.968981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.968981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.968981 (E_RNA)
where:
Base-Base interactions energy: -123.328
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.054
local terms energy: -72.587024
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -172.045250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.045250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.045250 (E_RNA)
where:
Base-Base interactions energy: -102.298
where: short stacking energy: -50.775
Base-Backbone interact. energy: -0.112
local terms energy: -69.635690
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -81.530462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.530462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.530462 (E_RNA)
where:
Base-Base interactions energy: -40.020
where: short stacking energy: -25.247
Base-Backbone interact. energy: 0.433
local terms energy: -41.942694
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -90.936304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.936304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.936304 (E_RNA)
where:
Base-Base interactions energy: -35.120
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.179
local terms energy: -55.637315
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -73.982242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.982242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.982242 (E_RNA)
where:
Base-Base interactions energy: -25.218
where: short stacking energy: -22.657
Base-Backbone interact. energy: -1.435
local terms energy: -47.329252
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -216.613830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.613830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.613830 (E_RNA)
where:
Base-Base interactions energy: -140.115
where: short stacking energy: -70.965
Base-Backbone interact. energy: -0.246
local terms energy: -76.252595
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -214.944567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.944567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.944567 (E_RNA)
where:
Base-Base interactions energy: -130.034
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.670
local terms energy: -84.240186
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -204.354133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.354133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.354133 (E_RNA)
where:
Base-Base interactions energy: -129.311
where: short stacking energy: -53.945
Base-Backbone interact. energy: -0.156
local terms energy: -74.886683
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -193.941441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.941441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.941441 (E_RNA)
where:
Base-Base interactions energy: -129.204
where: short stacking energy: -62.022
Base-Backbone interact. energy: 1.149
local terms energy: -65.886217
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -187.067461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.067461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.067461 (E_RNA)
where:
Base-Base interactions energy: -124.722
where: short stacking energy: -54.729
Base-Backbone interact. energy: 0.547
local terms energy: -62.892553
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -188.688432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.688432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.688432 (E_RNA)
where:
Base-Base interactions energy: -122.757
where: short stacking energy: -64.205
Base-Backbone interact. energy: -0.231
local terms energy: -65.700174
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -180.596281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.596281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.596281 (E_RNA)
where:
Base-Base interactions energy: -111.587
where: short stacking energy: -54.583
Base-Backbone interact. energy: -0.558
local terms energy: -68.451249
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -90.666012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.666012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.666012 (E_RNA)
where:
Base-Base interactions energy: -38.450
where: short stacking energy: -37.277
Base-Backbone interact. energy: -0.690
local terms energy: -51.525373
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -2.635
tors. eta vs tors. theta energy: -6.551
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: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -83.771583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.771583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.771583 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -31.837
Base-Backbone interact. energy: 2.147
local terms energy: -50.456007
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -90.537874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.537874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.537874 (E_RNA)
where:
Base-Base interactions energy: -36.922
where: short stacking energy: -36.361
Base-Backbone interact. energy: -0.076
local terms energy: -53.539978
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -7.041
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: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -224.197030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.197030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.197030 (E_RNA)
where:
Base-Base interactions energy: -144.908
where: short stacking energy: -77.818
Base-Backbone interact. energy: -0.014
local terms energy: -79.275412
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -212.587508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.587508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.587508 (E_RNA)
where:
Base-Base interactions energy: -141.774
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.036
local terms energy: -70.777513
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -197.141712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.141712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.141712 (E_RNA)
where:
Base-Base interactions energy: -125.951
where: short stacking energy: -61.647
Base-Backbone interact. energy: -0.084
local terms energy: -71.106219
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -9.949
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: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -199.146969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.146969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.146969 (E_RNA)
where:
Base-Base interactions energy: -127.399
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.096
local terms energy: -71.652157
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -184.312098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.312098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.312098 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -48.799
Base-Backbone interact. energy: -0.360
local terms energy: -65.326623
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -203.077898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.077898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.077898 (E_RNA)
where:
Base-Base interactions energy: -134.126
where: short stacking energy: -72.784
Base-Backbone interact. energy: -1.021
local terms energy: -67.930875
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -9.196
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -152.001318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.001318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.001318 (E_RNA)
where:
Base-Base interactions energy: -94.795
where: short stacking energy: -47.904
Base-Backbone interact. energy: 0.996
local terms energy: -58.202215
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -9.166
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: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -83.809374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.809374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.809374 (E_RNA)
where:
Base-Base interactions energy: -28.895
where: short stacking energy: -27.765
Base-Backbone interact. energy: 0.251
local terms energy: -55.165020
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -87.311957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.311957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.311957 (E_RNA)
where:
Base-Base interactions energy: -33.461
where: short stacking energy: -31.224
Base-Backbone interact. energy: -0.107
local terms energy: -53.744035
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -8.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -79.324997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.324997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.324997 (E_RNA)
where:
Base-Base interactions energy: -27.219
where: short stacking energy: -27.219
Base-Backbone interact. energy: -0.018
local terms energy: -52.087570
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -4.896
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: 292
Temperature: 0.900000
Total energy: -212.022838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.022838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.022838 (E_RNA)
where:
Base-Base interactions energy: -136.599
where: short stacking energy: -71.130
Base-Backbone interact. energy: -0.041
local terms energy: -75.382581
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -220.463063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.463063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.463063 (E_RNA)
where:
Base-Base interactions energy: -142.025
where: short stacking energy: -75.556
Base-Backbone interact. energy: -0.013
local terms energy: -78.424474
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -18.233
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: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -194.967736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.967736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.967736 (E_RNA)
where:
Base-Base interactions energy: -117.670
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.028
local terms energy: -77.269795
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -167.008597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.008597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.008597 (E_RNA)
where:
Base-Base interactions energy: -106.183
where: short stacking energy: -53.726
Base-Backbone interact. energy: -1.665
local terms energy: -59.159845
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -5.478
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: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -184.535906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.535906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.535906 (E_RNA)
where:
Base-Base interactions energy: -121.491
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.104
local terms energy: -62.940336
where:
bonds (distance) C4'-P energy: -6.481
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -184.528770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.528770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.528770 (E_RNA)
where:
Base-Base interactions energy: -115.643
where: short stacking energy: -57.834
Base-Backbone interact. energy: -0.017
local terms energy: -68.869264
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -166.937342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.937342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.937342 (E_RNA)
where:
Base-Base interactions energy: -111.440
where: short stacking energy: -51.498
Base-Backbone interact. energy: -0.388
local terms energy: -55.109034
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -11.930
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: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -104.519148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.519148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.519148 (E_RNA)
where:
Base-Base interactions energy: -38.441
where: short stacking energy: -38.441
Base-Backbone interact. energy: -0.028
local terms energy: -66.049967
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -9.380
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: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -84.313991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.313991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.313991 (E_RNA)
where:
Base-Base interactions energy: -34.580
where: short stacking energy: -28.405
Base-Backbone interact. energy: -0.075
local terms energy: -49.659160
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: 4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -99.121466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.121466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.121466 (E_RNA)
where:
Base-Base interactions energy: -49.221
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.357
local terms energy: -49.543278
where:
bonds (distance) C4'-P energy: -3.637
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -4.076
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: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -215.416243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.416243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.416243 (E_RNA)
where:
Base-Base interactions energy: -137.267
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.072
local terms energy: -78.077158
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -209.901825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.901825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.901825 (E_RNA)
where:
Base-Base interactions energy: -129.975
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.116
local terms energy: -79.811219
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -214.491460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.491460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.491460 (E_RNA)
where:
Base-Base interactions energy: -132.678
where: short stacking energy: -71.575
Base-Backbone interact. energy: -0.009
local terms energy: -81.804944
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -201.827181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.827181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.827181 (E_RNA)
where:
Base-Base interactions energy: -131.896
where: short stacking energy: -64.388
Base-Backbone interact. energy: -0.081
local terms energy: -69.849664
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -177.669698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.669698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.669698 (E_RNA)
where:
Base-Base interactions energy: -108.675
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.105
local terms energy: -68.888925
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -181.873350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.873350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.873350 (E_RNA)
where:
Base-Base interactions energy: -121.357
where: short stacking energy: -55.661
Base-Backbone interact. energy: -0.039
local terms energy: -60.477443
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -8.565
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: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -177.213197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.213197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.213197 (E_RNA)
where:
Base-Base interactions energy: -112.416
where: short stacking energy: -46.454
Base-Backbone interact. energy: -0.232
local terms energy: -64.565928
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -12.508
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: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -86.858131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.858131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.858131 (E_RNA)
where:
Base-Base interactions energy: -33.307
where: short stacking energy: -33.307
Base-Backbone interact. energy: -0.105
local terms energy: -53.446156
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -7.078
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -7.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -80.525577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.525577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.525577 (E_RNA)
where:
Base-Base interactions energy: -32.598
where: short stacking energy: -32.598
Base-Backbone interact. energy: 0.067
local terms energy: -47.993838
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -80.541164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.541164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.541164 (E_RNA)
where:
Base-Base interactions energy: -33.029
where: short stacking energy: -24.768
Base-Backbone interact. energy: -0.122
local terms energy: -47.390510
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -204.206153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.206153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.206153 (E_RNA)
where:
Base-Base interactions energy: -135.955
where: short stacking energy: -61.585
Base-Backbone interact. energy: -0.058
local terms energy: -68.192645
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -9.192
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -211.325406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.325406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.325406 (E_RNA)
where:
Base-Base interactions energy: -128.484
where: short stacking energy: -71.580
Base-Backbone interact. energy: -0.001
local terms energy: -82.841136
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -23.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -200.490599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.490599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.490599 (E_RNA)
where:
Base-Base interactions energy: -125.734
where: short stacking energy: -65.947
Base-Backbone interact. energy: -0.004
local terms energy: -74.752327
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -210.070002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.070002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.070002 (E_RNA)
where:
Base-Base interactions energy: -137.957
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.101
local terms energy: -72.011272
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -183.829661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.829661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.829661 (E_RNA)
where:
Base-Base interactions energy: -109.452
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.000
local terms energy: -74.377501
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -17.700
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: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -171.412564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.412564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.412564 (E_RNA)
where:
Base-Base interactions energy: -111.117
where: short stacking energy: -43.734
Base-Backbone interact. energy: -0.246
local terms energy: -60.049535
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -3.350
tors. eta vs tors. theta energy: -13.620
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: 294
Temperature: 1.200000
Total energy: -160.917857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.917857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.917857 (E_RNA)
where:
Base-Base interactions energy: -103.111
where: short stacking energy: -49.716
Base-Backbone interact. energy: 0.584
local terms energy: -58.391172
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -91.211315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.211315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.211315 (E_RNA)
where:
Base-Base interactions energy: -34.212
where: short stacking energy: -34.212
Base-Backbone interact. energy: -0.100
local terms energy: -56.899043
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -79.074297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.074297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.074297 (E_RNA)
where:
Base-Base interactions energy: -32.869
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.407
local terms energy: -45.798274
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -1.421
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -75.991847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.991847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.991847 (E_RNA)
where:
Base-Base interactions energy: -25.774
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.833
local terms energy: -49.385708
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -209.117217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.117217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.117217 (E_RNA)
where:
Base-Base interactions energy: -136.850
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.046
local terms energy: -72.221494
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -205.507812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.507812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.507812 (E_RNA)
where:
Base-Base interactions energy: -131.064
where: short stacking energy: -64.365
Base-Backbone interact. energy: -0.110
local terms energy: -74.333446
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -199.733829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.733829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.733829 (E_RNA)
where:
Base-Base interactions energy: -127.432
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.077
local terms energy: -72.224594
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -190.075346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.075346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.075346 (E_RNA)
where:
Base-Base interactions energy: -131.213
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.005
local terms energy: -58.857047
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -200.107809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.107809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.107809 (E_RNA)
where:
Base-Base interactions energy: -122.528
where: short stacking energy: -69.760
Base-Backbone interact. energy: -0.029
local terms energy: -77.550875
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -183.894540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.894540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.894540 (E_RNA)
where:
Base-Base interactions energy: -117.494
where: short stacking energy: -54.115
Base-Backbone interact. energy: -0.010
local terms energy: -66.391252
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -6.408
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: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -153.684460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.684460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.684460 (E_RNA)
where:
Base-Base interactions energy: -101.696
where: short stacking energy: -38.789
Base-Backbone interact. energy: -0.193
local terms energy: -51.795364
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -88.932559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.932559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.932559 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -37.986
Base-Backbone interact. energy: -0.018
local terms energy: -46.331032
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -6.762
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -5.988
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: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -83.146197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.146197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.146197 (E_RNA)
where:
Base-Base interactions energy: -38.342
where: short stacking energy: -33.295
Base-Backbone interact. energy: 0.132
local terms energy: -44.935837
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -87.526312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.526312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.526312 (E_RNA)
where:
Base-Base interactions energy: -34.703
where: short stacking energy: -21.035
Base-Backbone interact. energy: -0.726
local terms energy: -52.097340
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -210.362214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.362214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.362214 (E_RNA)
where:
Base-Base interactions energy: -130.293
where: short stacking energy: -69.743
Base-Backbone interact. energy: -0.038
local terms energy: -80.031439
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -13.004
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: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -201.660397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.660397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.660397 (E_RNA)
where:
Base-Base interactions energy: -122.521
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.501
local terms energy: -78.637870
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -205.763487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.763487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.763487 (E_RNA)
where:
Base-Base interactions energy: -125.126
where: short stacking energy: -63.031
Base-Backbone interact. energy: -0.171
local terms energy: -80.466732
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -22.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -184.929473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.929473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.929473 (E_RNA)
where:
Base-Base interactions energy: -116.526
where: short stacking energy: -55.966
Base-Backbone interact. energy: -0.035
local terms energy: -68.368187
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -186.998721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.998721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.998721 (E_RNA)
where:
Base-Base interactions energy: -122.124
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.149
local terms energy: -64.725970
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -17.658
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: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -180.479973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.479973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.479973 (E_RNA)
where:
Base-Base interactions energy: -113.749
where: short stacking energy: -53.290
Base-Backbone interact. energy: -0.239
local terms energy: -66.492769
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -11.259
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: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -166.639498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.639498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.639498 (E_RNA)
where:
Base-Base interactions energy: -113.413
where: short stacking energy: -42.360
Base-Backbone interact. energy: -0.787
local terms energy: -52.438720
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -7.714
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: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -84.120410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120410 (E_RNA)
where:
Base-Base interactions energy: -29.480
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.237
local terms energy: -54.402561
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -2.526
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: 296
Temperature: 1.300000
Total energy: -92.486754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.486754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.486754 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -33.066
Base-Backbone interact. energy: -0.034
local terms energy: -55.569693
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -74.493687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.493687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.493687 (E_RNA)
where:
Base-Base interactions energy: -21.845
where: short stacking energy: -21.845
Base-Backbone interact. energy: -0.044
local terms energy: -52.604400
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: 0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -204.887178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.887178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.887178 (E_RNA)
where:
Base-Base interactions energy: -132.257
where: short stacking energy: -64.853
Base-Backbone interact. energy: -0.001
local terms energy: -72.628683
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -199.040669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.040669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.040669 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.109
local terms energy: -72.226352
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -198.508886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.508886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.508886 (E_RNA)
where:
Base-Base interactions energy: -129.351
where: short stacking energy: -62.438
Base-Backbone interact. energy: -0.049
local terms energy: -69.108768
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -13.590
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: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -192.160713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.160713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.160713 (E_RNA)
where:
Base-Base interactions energy: -129.369
where: short stacking energy: -60.207
Base-Backbone interact. energy: -0.197
local terms energy: -62.594395
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -9.758
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -8.670
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: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -170.637298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.637298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.637298 (E_RNA)
where:
Base-Base interactions energy: -112.062
where: short stacking energy: -50.798
Base-Backbone interact. energy: -1.175
local terms energy: -57.400315
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -190.737529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.737529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.737529 (E_RNA)
where:
Base-Base interactions energy: -123.682
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.263
local terms energy: -66.792866
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -10.733
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -178.066309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.066309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.066309 (E_RNA)
where:
Base-Base interactions energy: -117.829
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.161
local terms energy: -60.076129
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -93.386809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.386809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.386809 (E_RNA)
where:
Base-Base interactions energy: -42.453
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.103
local terms energy: -50.830759
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -6.342
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: 9, replica: 1
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -84.168132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.168132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.168132 (E_RNA)
where:
Base-Base interactions energy: -35.772
where: short stacking energy: -30.738
Base-Backbone interact. energy: -0.183
local terms energy: -48.213312
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -0.941
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: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -78.665138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.665138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.665138 (E_RNA)
where:
Base-Base interactions energy: -34.037
where: short stacking energy: -33.137
Base-Backbone interact. energy: -0.007
local terms energy: -44.621778
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -3.471
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: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -204.316604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.316604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.316604 (E_RNA)
where:
Base-Base interactions energy: -122.817
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.124
local terms energy: -81.376001
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -209.577099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.577099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.577099 (E_RNA)
where:
Base-Base interactions energy: -139.882
where: short stacking energy: -74.530
Base-Backbone interact. energy: -0.109
local terms energy: -69.586291
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -202.576599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576599 (E_RNA)
where:
Base-Base interactions energy: -130.278
where: short stacking energy: -67.810
Base-Backbone interact. energy: -0.011
local terms energy: -72.287319
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -196.319878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.319878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.319878 (E_RNA)
where:
Base-Base interactions energy: -128.992
where: short stacking energy: -61.228
Base-Backbone interact. energy: -1.262
local terms energy: -66.065838
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -165.005195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.005195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.005195 (E_RNA)
where:
Base-Base interactions energy: -101.754
where: short stacking energy: -40.678
Base-Backbone interact. energy: 0.129
local terms energy: -63.380374
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -8.565
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: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -143.691493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.691493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.691493 (E_RNA)
where:
Base-Base interactions energy: -87.302
where: short stacking energy: -45.164
Base-Backbone interact. energy: -0.053
local terms energy: -56.336652
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -174.040002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.040002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.040002 (E_RNA)
where:
Base-Base interactions energy: -112.584
where: short stacking energy: -58.821
Base-Backbone interact. energy: -0.179
local terms energy: -61.276699
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -16.702
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: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -82.770860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.770860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.770860 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -24.137
Base-Backbone interact. energy: -0.313
local terms energy: -49.568509
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: 2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -84.145509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.145509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.145509 (E_RNA)
where:
Base-Base interactions energy: -30.415
where: short stacking energy: -27.588
Base-Backbone interact. energy: -0.803
local terms energy: -52.927345
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.420
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: 10, replica: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -85.302418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.302418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.302418 (E_RNA)
where:
Base-Base interactions energy: -33.053
where: short stacking energy: -24.631
Base-Backbone interact. energy: -0.062
local terms energy: -52.187332
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -201.872633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.872633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.872633 (E_RNA)
where:
Base-Base interactions energy: -128.017
where: short stacking energy: -60.974
Base-Backbone interact. energy: -0.080
local terms energy: -73.775114
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -219.721064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.721064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.721064 (E_RNA)
where:
Base-Base interactions energy: -142.142
where: short stacking energy: -69.657
Base-Backbone interact. energy: -0.215
local terms energy: -77.363353
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -202.563231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.563231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.563231 (E_RNA)
where:
Base-Base interactions energy: -131.574
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.197
local terms energy: -70.791730
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -197.160382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.160382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.160382 (E_RNA)
where:
Base-Base interactions energy: -128.902
where: short stacking energy: -61.967
Base-Backbone interact. energy: -0.115
local terms energy: -68.143320
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -13.224
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: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -183.410366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.410366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.410366 (E_RNA)
where:
Base-Base interactions energy: -116.557
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.066
local terms energy: -66.788082
where:
bonds (distance) C4'-P energy: -8.221
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -159.448513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.448513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.448513 (E_RNA)
where:
Base-Base interactions energy: -102.868
where: short stacking energy: -43.062
Base-Backbone interact. energy: -0.243
local terms energy: -56.338106
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -188.139695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.139695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.139695 (E_RNA)
where:
Base-Base interactions energy: -130.642
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.107
local terms energy: -57.391526
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -13.100
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: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -85.889471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.889471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.889471 (E_RNA)
where:
Base-Base interactions energy: -28.482
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.182
local terms energy: -57.225810
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -3.747
tors. eta vs tors. theta energy: -6.109
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: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -81.552514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.552514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.552514 (E_RNA)
where:
Base-Base interactions energy: -30.765
where: short stacking energy: -28.217
Base-Backbone interact. energy: -0.413
local terms energy: -50.373614
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -85.400077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400077 (E_RNA)
where:
Base-Base interactions energy: -33.495
where: short stacking energy: -26.800
Base-Backbone interact. energy: -0.033
local terms energy: -51.872059
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -215.124459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.124459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.124459 (E_RNA)
where:
Base-Base interactions energy: -140.587
where: short stacking energy: -73.305
Base-Backbone interact. energy: -0.002
local terms energy: -74.535179
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -203.676599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.676599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.676599 (E_RNA)
where:
Base-Base interactions energy: -132.614
where: short stacking energy: -63.479
Base-Backbone interact. energy: -0.116
local terms energy: -70.947072
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -194.645672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.645672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.645672 (E_RNA)
where:
Base-Base interactions energy: -128.597
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.171
local terms energy: -65.877179
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -11.598
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: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -186.430442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.430442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.430442 (E_RNA)
where:
Base-Base interactions energy: -116.646
where: short stacking energy: -54.565
Base-Backbone interact. energy: 0.056
local terms energy: -69.840056
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -189.859270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.859270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.859270 (E_RNA)
where:
Base-Base interactions energy: -119.331
where: short stacking energy: -54.207
Base-Backbone interact. energy: -0.106
local terms energy: -70.422596
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -16.288
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: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -155.397139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.397139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.397139 (E_RNA)
where:
Base-Base interactions energy: -99.428
where: short stacking energy: -40.864
Base-Backbone interact. energy: -0.005
local terms energy: -55.964434
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -5.285
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: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -171.591870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.591870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.591870 (E_RNA)
where:
Base-Base interactions energy: -103.455
where: short stacking energy: -52.363
Base-Backbone interact. energy: -0.666
local terms energy: -67.471564
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -89.346488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.346488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.346488 (E_RNA)
where:
Base-Base interactions energy: -41.608
where: short stacking energy: -29.465
Base-Backbone interact. energy: 0.701
local terms energy: -48.439855
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -83.017116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017116 (E_RNA)
where:
Base-Base interactions energy: -37.401
where: short stacking energy: -25.923
Base-Backbone interact. energy: -0.083
local terms energy: -45.533394
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -80.631528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.631528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.631528 (E_RNA)
where:
Base-Base interactions energy: -39.235
where: short stacking energy: -39.235
Base-Backbone interact. energy: -0.001
local terms energy: -41.395739
where:
bonds (distance) C4'-P energy: -4.043
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -216.879435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.879435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.879435 (E_RNA)
where:
Base-Base interactions energy: -141.800
where: short stacking energy: -76.244
Base-Backbone interact. energy: -0.042
local terms energy: -75.037427
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -24.596
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: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -191.087153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.087153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.087153 (E_RNA)
where:
Base-Base interactions energy: -122.831
where: short stacking energy: -60.486
Base-Backbone interact. energy: -1.017
local terms energy: -67.238870
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -204.321259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.321259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.321259 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.280
local terms energy: -74.529730
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -193.875454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.875454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.875454 (E_RNA)
where:
Base-Base interactions energy: -125.356
where: short stacking energy: -59.057
Base-Backbone interact. energy: -0.195
local terms energy: -68.323757
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -177.673160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.673160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.673160 (E_RNA)
where:
Base-Base interactions energy: -113.486
where: short stacking energy: -51.768
Base-Backbone interact. energy: -0.095
local terms energy: -64.092127
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -12.684
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: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -158.057452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.057452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.057452 (E_RNA)
where:
Base-Base interactions energy: -102.306
where: short stacking energy: -50.049
Base-Backbone interact. energy: -0.004
local terms energy: -55.747133
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -7.430
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: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -153.391368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.391368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.391368 (E_RNA)
where:
Base-Base interactions energy: -96.373
where: short stacking energy: -41.706
Base-Backbone interact. energy: -0.064
local terms energy: -56.953935
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -84.829014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829014 (E_RNA)
where:
Base-Base interactions energy: -34.461
where: short stacking energy: -23.824
Base-Backbone interact. energy: -0.238
local terms energy: -50.130325
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -3.460
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: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -86.023037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.023037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.023037 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -32.648
Base-Backbone interact. energy: -1.071
local terms energy: -51.968722
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -6.411
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -78.631390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.631390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.631390 (E_RNA)
where:
Base-Base interactions energy: -29.614
where: short stacking energy: -27.583
Base-Backbone interact. energy: -0.387
local terms energy: -48.630018
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -4.004
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -205.357227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.357227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.357227 (E_RNA)
where:
Base-Base interactions energy: -134.529
where: short stacking energy: -57.801
Base-Backbone interact. energy: -0.230
local terms energy: -70.598117
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -205.429840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.429840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.429840 (E_RNA)
where:
Base-Base interactions energy: -135.159
where: short stacking energy: -60.485
Base-Backbone interact. energy: -1.263
local terms energy: -69.007887
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -12.810
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: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -205.447899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.447899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.447899 (E_RNA)
where:
Base-Base interactions energy: -138.115
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.120
local terms energy: -67.213044
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -12.634
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: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -192.529953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.529953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.529953 (E_RNA)
where:
Base-Base interactions energy: -124.888
where: short stacking energy: -57.390
Base-Backbone interact. energy: -1.087
local terms energy: -66.554777
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -6.339
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: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -169.038755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.038755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.038755 (E_RNA)
where:
Base-Base interactions energy: -111.768
where: short stacking energy: -59.692
Base-Backbone interact. energy: 0.134
local terms energy: -57.404663
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -168.585062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.585062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.585062 (E_RNA)
where:
Base-Base interactions energy: -101.606
where: short stacking energy: -51.573
Base-Backbone interact. energy: -0.105
local terms energy: -66.873600
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -174.288323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.288323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.288323 (E_RNA)
where:
Base-Base interactions energy: -120.520
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.149
local terms energy: -53.619043
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -9.897
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -11.266
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: 302
Temperature: 1.250000
Total energy: -80.508109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508109 (E_RNA)
where:
Base-Base interactions energy: -30.823
where: short stacking energy: -25.931
Base-Backbone interact. energy: -1.875
local terms energy: -47.810224
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -0.812
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: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -90.597654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.597654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.597654 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -26.257
Base-Backbone interact. energy: 0.079
local terms energy: -56.158324
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -83.258428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.258428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.258428 (E_RNA)
where:
Base-Base interactions energy: -31.183
where: short stacking energy: -19.411
Base-Backbone interact. energy: -0.430
local terms energy: -51.645926
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -212.071979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.071979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.071979 (E_RNA)
where:
Base-Base interactions energy: -141.553
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.104
local terms energy: -70.415627
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -17.731
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: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -204.391525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.391525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.391525 (E_RNA)
where:
Base-Base interactions energy: -139.571
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.197
local terms energy: -64.623915
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -210.364567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.364567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.364567 (E_RNA)
where:
Base-Base interactions energy: -136.011
where: short stacking energy: -70.063
Base-Backbone interact. energy: -0.108
local terms energy: -74.245261
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -204.418567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.418567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.418567 (E_RNA)
where:
Base-Base interactions energy: -132.604
where: short stacking energy: -65.047
Base-Backbone interact. energy: -0.081
local terms energy: -71.732930
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -20.215
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: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -196.521281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.521281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.521281 (E_RNA)
where:
Base-Base interactions energy: -126.634
where: short stacking energy: -66.884
Base-Backbone interact. energy: 2.206
local terms energy: -72.094150
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -13.365
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: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -189.209618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.209618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.209618 (E_RNA)
where:
Base-Base interactions energy: -120.464
where: short stacking energy: -56.796
Base-Backbone interact. energy: -0.121
local terms energy: -68.624991
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -16.324
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: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -163.155658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.155658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.155658 (E_RNA)
where:
Base-Base interactions energy: -101.484
where: short stacking energy: -53.995
Base-Backbone interact. energy: -0.108
local terms energy: -61.564354
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -84.572712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.572712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.572712 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -31.556
Base-Backbone interact. energy: -0.110
local terms energy: -52.906588
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -8.603
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -4.334
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: 303
Temperature: 1.300000
Total energy: -84.880934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.880934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.880934 (E_RNA)
where:
Base-Base interactions energy: -32.161
where: short stacking energy: -24.202
Base-Backbone interact. energy: -1.005
local terms energy: -51.714496
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -75.570936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.570936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.570936 (E_RNA)
where:
Base-Base interactions energy: -24.062
where: short stacking energy: -23.820
Base-Backbone interact. energy: -0.318
local terms energy: -51.190112
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -210.670362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.670362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.670362 (E_RNA)
where:
Base-Base interactions energy: -135.459
where: short stacking energy: -59.787
Base-Backbone interact. energy: -0.697
local terms energy: -74.514169
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -208.968071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.968071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.968071 (E_RNA)
where:
Base-Base interactions energy: -135.253
where: short stacking energy: -65.154
Base-Backbone interact. energy: -0.841
local terms energy: -72.873795
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -202.724807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.724807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.724807 (E_RNA)
where:
Base-Base interactions energy: -137.869
where: short stacking energy: -66.741
Base-Backbone interact. energy: -0.277
local terms energy: -64.579540
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -192.625424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.625424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.625424 (E_RNA)
where:
Base-Base interactions energy: -122.981
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.394
local terms energy: -69.250601
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -7.980
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: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -197.367740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.367740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.367740 (E_RNA)
where:
Base-Base interactions energy: -122.439
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.254
local terms energy: -74.674102
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -178.943021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.943021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.943021 (E_RNA)
where:
Base-Base interactions energy: -104.653
where: short stacking energy: -57.840
Base-Backbone interact. energy: -0.180
local terms energy: -74.109948
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -181.536326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.536326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.536326 (E_RNA)
where:
Base-Base interactions energy: -118.407
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.960
local terms energy: -62.168789
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -15.982
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: 304
Temperature: 1.250000
Total energy: -85.443773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.443773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.443773 (E_RNA)
where:
Base-Base interactions energy: -30.061
where: short stacking energy: -30.056
Base-Backbone interact. energy: -0.047
local terms energy: -55.335341
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -80.001259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.001259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.001259 (E_RNA)
where:
Base-Base interactions energy: -24.338
where: short stacking energy: -19.980
Base-Backbone interact. energy: -0.310
local terms energy: -55.353161
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -73.736911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.736911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.736911 (E_RNA)
where:
Base-Base interactions energy: -38.520
where: short stacking energy: -29.694
Base-Backbone interact. energy: 4.908
local terms energy: -40.124961
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -4.162
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -213.434457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.434457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.434457 (E_RNA)
where:
Base-Base interactions energy: -140.332
where: short stacking energy: -64.489
Base-Backbone interact. energy: -0.339
local terms energy: -72.762986
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -206.544003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.544003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.544003 (E_RNA)
where:
Base-Base interactions energy: -135.647
where: short stacking energy: -67.582
Base-Backbone interact. energy: -0.006
local terms energy: -70.891403
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -21.551
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: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -198.705308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.705308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.705308 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -58.053
Base-Backbone interact. energy: -0.448
local terms energy: -76.855482
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -194.914368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.914368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.914368 (E_RNA)
where:
Base-Base interactions energy: -125.956
where: short stacking energy: -66.823
Base-Backbone interact. energy: -1.125
local terms energy: -67.834128
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -14.104
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: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -189.743212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.743212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.743212 (E_RNA)
where:
Base-Base interactions energy: -122.283
where: short stacking energy: -63.885
Base-Backbone interact. energy: -0.028
local terms energy: -67.432182
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -17.312
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: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -193.006147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.006147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.006147 (E_RNA)
where:
Base-Base interactions energy: -125.140
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.063
local terms energy: -67.803693
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -180.421998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.421998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.421998 (E_RNA)
where:
Base-Base interactions energy: -117.902
where: short stacking energy: -48.907
Base-Backbone interact. energy: -0.014
local terms energy: -62.506068
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -13.616
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: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -95.804022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.804022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.804022 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -34.309
Base-Backbone interact. energy: 0.491
local terms energy: -61.986574
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -77.909721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.909721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.909721 (E_RNA)
where:
Base-Base interactions energy: -34.183
where: short stacking energy: -34.183
Base-Backbone interact. energy: -0.190
local terms energy: -43.536369
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -5.894
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -82.992989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.992989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.992989 (E_RNA)
where:
Base-Base interactions energy: -32.375
where: short stacking energy: -32.375
Base-Backbone interact. energy: -0.260
local terms energy: -50.357608
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -1.970
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: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -203.951178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.951178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.951178 (E_RNA)
where:
Base-Base interactions energy: -135.035
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.310
local terms energy: -68.605949
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -211.924662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.924662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.924662 (E_RNA)
where:
Base-Base interactions energy: -135.854
where: short stacking energy: -67.457
Base-Backbone interact. energy: -0.074
local terms energy: -75.996676
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -20.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -192.567540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.567540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.567540 (E_RNA)
where:
Base-Base interactions energy: -129.838
where: short stacking energy: -52.479
Base-Backbone interact. energy: -0.108
local terms energy: -62.621816
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -9.200
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: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -211.500608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.500608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.500608 (E_RNA)
where:
Base-Base interactions energy: -142.958
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.080
local terms energy: -68.461877
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -19.334
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: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -196.759971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.759971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.759971 (E_RNA)
where:
Base-Base interactions energy: -121.334
where: short stacking energy: -62.582
Base-Backbone interact. energy: -0.011
local terms energy: -75.414354
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -178.635424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.635424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.635424 (E_RNA)
where:
Base-Base interactions energy: -116.934
where: short stacking energy: -60.557
Base-Backbone interact. energy: 0.514
local terms energy: -62.214837
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -173.034093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.034093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.034093 (E_RNA)
where:
Base-Base interactions energy: -105.436
where: short stacking energy: -48.701
Base-Backbone interact. energy: -0.013
local terms energy: -67.584866
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -87.984427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.984427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.984427 (E_RNA)
where:
Base-Base interactions energy: -27.160
where: short stacking energy: -26.886
Base-Backbone interact. energy: -0.113
local terms energy: -60.711560
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -7.181
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: 306
Temperature: 1.300000
Total energy: -84.168579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.168579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.168579 (E_RNA)
where:
Base-Base interactions energy: -25.777
where: short stacking energy: -25.668
Base-Backbone interact. energy: -0.367
local terms energy: -58.024803
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -74.137289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.137289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.137289 (E_RNA)
where:
Base-Base interactions energy: -23.442
where: short stacking energy: -20.367
Base-Backbone interact. energy: -0.154
local terms energy: -50.540830
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -205.859097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.859097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859097 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -60.193
Base-Backbone interact. energy: -0.128
local terms energy: -67.917596
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -16.581
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: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -205.310766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.310766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.310766 (E_RNA)
where:
Base-Base interactions energy: -132.860
where: short stacking energy: -60.837
Base-Backbone interact. energy: -0.476
local terms energy: -71.975408
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.808
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: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -193.891828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.891828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.891828 (E_RNA)
where:
Base-Base interactions energy: -125.207
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.111
local terms energy: -68.573957
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -204.152770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.152770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.152770 (E_RNA)
where:
Base-Base interactions energy: -136.224
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.208
local terms energy: -67.720259
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -201.242870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.242870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.242870 (E_RNA)
where:
Base-Base interactions energy: -120.508
where: short stacking energy: -68.623
Base-Backbone interact. energy: -1.017
local terms energy: -79.717817
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -165.005101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.005101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.005101 (E_RNA)
where:
Base-Base interactions energy: -103.746
where: short stacking energy: -47.369
Base-Backbone interact. energy: -0.619
local terms energy: -60.639481
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -5.823
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: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -190.344575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.344575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.344575 (E_RNA)
where:
Base-Base interactions energy: -120.370
where: short stacking energy: -61.484
Base-Backbone interact. energy: -0.061
local terms energy: -69.913227
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -108.826124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.826124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.826124 (E_RNA)
where:
Base-Base interactions energy: -61.560
where: short stacking energy: -37.384
Base-Backbone interact. energy: -0.267
local terms energy: -46.999111
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -0.997
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: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -81.609353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.609353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.609353 (E_RNA)
where:
Base-Base interactions energy: -44.017
where: short stacking energy: -40.106
Base-Backbone interact. energy: -0.173
local terms energy: -37.418971
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -79.850525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.850525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.850525 (E_RNA)
where:
Base-Base interactions energy: -30.383
where: short stacking energy: -30.383
Base-Backbone interact. energy: 0.130
local terms energy: -49.597272
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -219.808466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.808466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.808466 (E_RNA)
where:
Base-Base interactions energy: -144.269
where: short stacking energy: -67.586
Base-Backbone interact. energy: -0.374
local terms energy: -75.165186
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -203.693971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.693971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.693971 (E_RNA)
where:
Base-Base interactions energy: -133.659
where: short stacking energy: -60.751
Base-Backbone interact. energy: -0.682
local terms energy: -69.352249
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -196.911340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.911340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.911340 (E_RNA)
where:
Base-Base interactions energy: -131.045
where: short stacking energy: -63.713
Base-Backbone interact. energy: -0.007
local terms energy: -65.858713
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -189.846759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.846759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.846759 (E_RNA)
where:
Base-Base interactions energy: -124.265
where: short stacking energy: -49.559
Base-Backbone interact. energy: -0.011
local terms energy: -65.571223
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -184.554983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.554983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.554983 (E_RNA)
where:
Base-Base interactions energy: -122.061
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.010
local terms energy: -62.484256
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -187.704826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.704826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.704826 (E_RNA)
where:
Base-Base interactions energy: -122.169
where: short stacking energy: -61.304
Base-Backbone interact. energy: -0.597
local terms energy: -64.938767
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -188.245606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.245606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.245606 (E_RNA)
where:
Base-Base interactions energy: -121.311
where: short stacking energy: -62.472
Base-Backbone interact. energy: -0.092
local terms energy: -66.843043
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -80.511481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.511481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.511481 (E_RNA)
where:
Base-Base interactions energy: -26.087
where: short stacking energy: -25.382
Base-Backbone interact. energy: -0.169
local terms energy: -54.254977
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -71.577607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.577607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.577607 (E_RNA)
where:
Base-Base interactions energy: -21.470
where: short stacking energy: -20.970
Base-Backbone interact. energy: -0.076
local terms energy: -50.031105
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -69.940309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.940309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.940309 (E_RNA)
where:
Base-Base interactions energy: -25.775
where: short stacking energy: -23.296
Base-Backbone interact. energy: -0.154
local terms energy: -44.010742
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: 1.847
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: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -213.937216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.937216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.937216 (E_RNA)
where:
Base-Base interactions energy: -135.773
where: short stacking energy: -63.794
Base-Backbone interact. energy: -0.078
local terms energy: -78.085896
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -205.628467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.628467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.628467 (E_RNA)
where:
Base-Base interactions energy: -133.491
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.160
local terms energy: -71.976946
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -186.661643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.661643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.661643 (E_RNA)
where:
Base-Base interactions energy: -117.274
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.124
local terms energy: -69.263077
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -192.847926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.847926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.847926 (E_RNA)
where:
Base-Base interactions energy: -127.742
where: short stacking energy: -61.245
Base-Backbone interact. energy: -0.071
local terms energy: -65.034065
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -13.970
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: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -189.593752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.593752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.593752 (E_RNA)
where:
Base-Base interactions energy: -121.062
where: short stacking energy: -54.203
Base-Backbone interact. energy: -0.660
local terms energy: -67.871441
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -175.781828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.781828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.781828 (E_RNA)
where:
Base-Base interactions energy: -113.243
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.172
local terms energy: -62.366233
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -166.080573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.080573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.080573 (E_RNA)
where:
Base-Base interactions energy: -109.272
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.015
local terms energy: -56.793556
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -15.556
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: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -80.282677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.282677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.282677 (E_RNA)
where:
Base-Base interactions energy: -24.624
where: short stacking energy: -22.207
Base-Backbone interact. energy: -0.369
local terms energy: -55.289704
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -1.279
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: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -74.845013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.845013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.845013 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.736
local terms energy: -46.987830
where:
bonds (distance) C4'-P energy: -6.414
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -66.639086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.639086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.639086 (E_RNA)
where:
Base-Base interactions energy: -17.663
where: short stacking energy: -17.663
Base-Backbone interact. energy: -0.133
local terms energy: -48.842821
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -1.426
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: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -203.405911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.405911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.405911 (E_RNA)
where:
Base-Base interactions energy: -135.886
where: short stacking energy: -51.776
Base-Backbone interact. energy: -0.368
local terms energy: -67.152148
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -208.258519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.258519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.258519 (E_RNA)
where:
Base-Base interactions energy: -128.377
where: short stacking energy: -62.114
Base-Backbone interact. energy: -0.044
local terms energy: -79.837600
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -17.024
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: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -200.810005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.810005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.810005 (E_RNA)
where:
Base-Base interactions energy: -133.169
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.013
local terms energy: -67.628136
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -178.169617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.169617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.169617 (E_RNA)
where:
Base-Base interactions energy: -116.957
where: short stacking energy: -52.961
Base-Backbone interact. energy: -0.454
local terms energy: -60.758961
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -10.317
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -187.826622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.826622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.826622 (E_RNA)
where:
Base-Base interactions energy: -113.176
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.404
local terms energy: -74.247148
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -166.252941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.252941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.252941 (E_RNA)
where:
Base-Base interactions energy: -106.386
where: short stacking energy: -44.659
Base-Backbone interact. energy: -0.211
local terms energy: -59.656687
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -178.905434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.905434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.905434 (E_RNA)
where:
Base-Base interactions energy: -117.773
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.001
local terms energy: -61.130829
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -8.819
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: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -118.524007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.524007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.524007 (E_RNA)
where:
Base-Base interactions energy: -62.894
where: short stacking energy: -34.402
Base-Backbone interact. energy: 0.244
local terms energy: -55.874414
where:
bonds (distance) C4'-P energy: -8.256
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -88.943893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.943893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.943893 (E_RNA)
where:
Base-Base interactions energy: -38.407
where: short stacking energy: -36.026
Base-Backbone interact. energy: 1.629
local terms energy: -52.165887
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -5.981
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: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -82.261286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.261286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.261286 (E_RNA)
where:
Base-Base interactions energy: -31.066
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.195
local terms energy: -51.000204
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -7.536
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: 311
Temperature: 0.900000
Total energy: -206.847046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.847046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.847046 (E_RNA)
where:
Base-Base interactions energy: -130.373
where: short stacking energy: -61.839
Base-Backbone interact. energy: -1.018
local terms energy: -75.455445
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -13.911
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: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -194.626924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.626924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.626924 (E_RNA)
where:
Base-Base interactions energy: -121.708
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.915
local terms energy: -72.003925
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -195.412368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.412368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.412368 (E_RNA)
where:
Base-Base interactions energy: -123.279
where: short stacking energy: -53.113
Base-Backbone interact. energy: 0.296
local terms energy: -72.429121
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -197.716578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.716578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.716578 (E_RNA)
where:
Base-Base interactions energy: -128.928
where: short stacking energy: -66.337
Base-Backbone interact. energy: -0.613
local terms energy: -68.175151
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -170.262121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.262121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.262121 (E_RNA)
where:
Base-Base interactions energy: -106.147
where: short stacking energy: -46.711
Base-Backbone interact. energy: 0.076
local terms energy: -64.191707
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -187.765685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.765685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.765685 (E_RNA)
where:
Base-Base interactions energy: -118.312
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.006
local terms energy: -69.447994
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -8.299
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: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -133.201470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.201470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.201470 (E_RNA)
where:
Base-Base interactions energy: -86.909
where: short stacking energy: -37.259
Base-Backbone interact. energy: -0.545
local terms energy: -45.748219
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -5.885
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -10.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -89.161472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.161472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.161472 (E_RNA)
where:
Base-Base interactions energy: -32.243
where: short stacking energy: -27.498
Base-Backbone interact. energy: -0.302
local terms energy: -56.616676
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -6.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -90.343213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.343213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.343213 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.674
local terms energy: -52.482998
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -80.398685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.398685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.398685 (E_RNA)
where:
Base-Base interactions energy: -31.898
where: short stacking energy: -31.898
Base-Backbone interact. energy: -0.237
local terms energy: -48.263627
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -200.593448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.593448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.593448 (E_RNA)
where:
Base-Base interactions energy: -132.158
where: short stacking energy: -66.958
Base-Backbone interact. energy: -1.422
local terms energy: -67.013431
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -210.843039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.843039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.843039 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -71.124
Base-Backbone interact. energy: 0.237
local terms energy: -74.704951
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -196.839925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.839925 (E_RNA)
where:
Base-Base interactions energy: -123.146
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.088
local terms energy: -73.605498
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -196.260881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.260881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.260881 (E_RNA)
where:
Base-Base interactions energy: -124.566
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.081
local terms energy: -71.613870
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -192.788536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.788536 (E_RNA)
where:
Base-Base interactions energy: -122.407
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.006
local terms energy: -70.375897
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -182.168724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.168724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.168724 (E_RNA)
where:
Base-Base interactions energy: -116.305
where: short stacking energy: -51.082
Base-Backbone interact. energy: -0.210
local terms energy: -65.654257
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.822
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: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -100.832057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.832057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.832057 (E_RNA)
where:
Base-Base interactions energy: -44.309
where: short stacking energy: -41.736
Base-Backbone interact. energy: -0.273
local terms energy: -56.249768
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -121.486347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.486347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.486347 (E_RNA)
where:
Base-Base interactions energy: -75.654
where: short stacking energy: -30.337
Base-Backbone interact. energy: 1.004
local terms energy: -46.836833
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -3.741
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: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -80.935793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.935793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.935793 (E_RNA)
where:
Base-Base interactions energy: -28.545
where: short stacking energy: -24.181
Base-Backbone interact. energy: -0.034
local terms energy: -52.356628
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -75.483145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.483145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.483145 (E_RNA)
where:
Base-Base interactions energy: -27.941
where: short stacking energy: -23.696
Base-Backbone interact. energy: -1.038
local terms energy: -46.503596
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -207.120670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.120670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.120670 (E_RNA)
where:
Base-Base interactions energy: -130.856
where: short stacking energy: -65.915
Base-Backbone interact. energy: 0.103
local terms energy: -76.367767
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -14.778
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -217.652281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.652281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.652281 (E_RNA)
where:
Base-Base interactions energy: -134.007
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.592
local terms energy: -83.052905
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -20.600
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: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -196.900676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.900676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.900676 (E_RNA)
where:
Base-Base interactions energy: -119.704
where: short stacking energy: -56.244
Base-Backbone interact. energy: -1.176
local terms energy: -76.020318
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -193.110815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.110815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.110815 (E_RNA)
where:
Base-Base interactions energy: -123.343
where: short stacking energy: -58.992
Base-Backbone interact. energy: -0.004
local terms energy: -69.763376
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -185.159277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.159277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.159277 (E_RNA)
where:
Base-Base interactions energy: -122.017
where: short stacking energy: -51.680
Base-Backbone interact. energy: -0.167
local terms energy: -62.975488
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -166.122063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.122063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.122063 (E_RNA)
where:
Base-Base interactions energy: -100.516
where: short stacking energy: -46.142
Base-Backbone interact. energy: 0.187
local terms energy: -65.793379
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -96.967524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.967524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.967524 (E_RNA)
where:
Base-Base interactions energy: -43.211
where: short stacking energy: -28.335
Base-Backbone interact. energy: -0.216
local terms energy: -53.540625
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -144.624364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.624364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.624364 (E_RNA)
where:
Base-Base interactions energy: -89.867
where: short stacking energy: -42.703
Base-Backbone interact. energy: -0.782
local terms energy: -53.975039
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -8.903
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: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -90.979661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.979661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.979661 (E_RNA)
where:
Base-Base interactions energy: -49.835
where: short stacking energy: -31.769
Base-Backbone interact. energy: -0.908
local terms energy: -40.236381
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -78.744787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.744787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.744787 (E_RNA)
where:
Base-Base interactions energy: -26.541
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.137
local terms energy: -52.066817
where:
bonds (distance) C4'-P energy: -7.619
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -3.897
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: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -204.449907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.449907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.449907 (E_RNA)
where:
Base-Base interactions energy: -125.543
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.037
local terms energy: -78.870613
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -202.905259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.905259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.905259 (E_RNA)
where:
Base-Base interactions energy: -125.607
where: short stacking energy: -60.757
Base-Backbone interact. energy: -0.004
local terms energy: -77.294432
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -200.629656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.629656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.629656 (E_RNA)
where:
Base-Base interactions energy: -132.517
where: short stacking energy: -64.800
Base-Backbone interact. energy: -0.500
local terms energy: -67.612518
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -191.769178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.769178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.769178 (E_RNA)
where:
Base-Base interactions energy: -125.866
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.004
local terms energy: -65.899358
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -16.961
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: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -160.135777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.135777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.135777 (E_RNA)
where:
Base-Base interactions energy: -103.044
where: short stacking energy: -48.748
Base-Backbone interact. energy: -0.126
local terms energy: -56.965310
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -5.795
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: 314
Temperature: 1.150000
Total energy: -177.987990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.987990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.987990 (E_RNA)
where:
Base-Base interactions energy: -112.135
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.100
local terms energy: -65.753142
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -141.640613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.640613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.640613 (E_RNA)
where:
Base-Base interactions energy: -85.077
where: short stacking energy: -50.855
Base-Backbone interact. energy: -0.042
local terms energy: -56.521568
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -88.616862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.616862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.616862 (E_RNA)
where:
Base-Base interactions energy: -36.554
where: short stacking energy: -36.554
Base-Backbone interact. energy: -0.028
local terms energy: -52.035107
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: 0.155
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -77.709096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.709096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.709096 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -23.966
Base-Backbone interact. energy: -0.142
local terms energy: -45.733824
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -81.943964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.943964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.943964 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -33.185
Base-Backbone interact. energy: -0.078
local terms energy: -46.630993
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -3.158
tors. eta vs tors. theta energy: -5.713
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: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -209.396679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.396679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.396679 (E_RNA)
where:
Base-Base interactions energy: -132.924
where: short stacking energy: -72.662
Base-Backbone interact. energy: -0.002
local terms energy: -76.470974
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -20.132
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: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -198.040187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.040187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.040187 (E_RNA)
where:
Base-Base interactions energy: -124.559
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.890
local terms energy: -72.590969
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -191.404580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.404580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.404580 (E_RNA)
where:
Base-Base interactions energy: -129.031
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.085
local terms energy: -62.288440
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -180.043305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.043305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.043305 (E_RNA)
where:
Base-Base interactions energy: -110.299
where: short stacking energy: -52.365
Base-Backbone interact. energy: -0.154
local terms energy: -69.590053
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -9.733
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: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -201.057281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.057281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.057281 (E_RNA)
where:
Base-Base interactions energy: -132.385
where: short stacking energy: -60.423
Base-Backbone interact. energy: -0.075
local terms energy: -68.596909
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -149.822345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.822345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.822345 (E_RNA)
where:
Base-Base interactions energy: -89.515
where: short stacking energy: -52.817
Base-Backbone interact. energy: -0.541
local terms energy: -59.766647
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -177.287656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.287656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.287656 (E_RNA)
where:
Base-Base interactions energy: -113.235
where: short stacking energy: -57.242
Base-Backbone interact. energy: -0.014
local terms energy: -64.039217
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -81.298366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.298366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.298366 (E_RNA)
where:
Base-Base interactions energy: -27.097
where: short stacking energy: -27.097
Base-Backbone interact. energy: -0.206
local terms energy: -53.995718
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -78.268549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.268549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.268549 (E_RNA)
where:
Base-Base interactions energy: -36.945
where: short stacking energy: -32.381
Base-Backbone interact. energy: 0.891
local terms energy: -42.214988
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -7.588
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: 0.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -81.539897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.539897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.539897 (E_RNA)
where:
Base-Base interactions energy: -25.255
where: short stacking energy: -22.908
Base-Backbone interact. energy: -0.240
local terms energy: -56.044872
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -198.024697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.024697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.024697 (E_RNA)
where:
Base-Base interactions energy: -125.487
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.079
local terms energy: -72.458534
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -197.300147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.300147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.300147 (E_RNA)
where:
Base-Base interactions energy: -128.993
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.225
local terms energy: -68.082746
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -192.332005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.332005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.332005 (E_RNA)
where:
Base-Base interactions energy: -124.881
where: short stacking energy: -56.396
Base-Backbone interact. energy: -0.001
local terms energy: -67.449919
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -3.781
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: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -186.310891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.310891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.310891 (E_RNA)
where:
Base-Base interactions energy: -114.852
where: short stacking energy: -52.067
Base-Backbone interact. energy: -0.187
local terms energy: -71.271762
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -183.250878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.250878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.250878 (E_RNA)
where:
Base-Base interactions energy: -115.394
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.035
local terms energy: -67.822036
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -161.148751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.148751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.148751 (E_RNA)
where:
Base-Base interactions energy: -96.452
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.248
local terms energy: -64.448751
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -11.563
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: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -182.268105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.268105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.268105 (E_RNA)
where:
Base-Base interactions energy: -120.274
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.036
local terms energy: -61.957734
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -94.348842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.348842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.348842 (E_RNA)
where:
Base-Base interactions energy: -42.449
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.023
local terms energy: -51.876713
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -4.797
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: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -79.366103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.366103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.366103 (E_RNA)
where:
Base-Base interactions energy: -28.146
where: short stacking energy: -28.146
Base-Backbone interact. energy: -0.005
local terms energy: -51.214933
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -6.795
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -3.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -76.513782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.513782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.513782 (E_RNA)
where:
Base-Base interactions energy: -35.173
where: short stacking energy: -35.173
Base-Backbone interact. energy: 2.247
local terms energy: -43.587950
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -202.049951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.049951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.049951 (E_RNA)
where:
Base-Base interactions energy: -135.230
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.009
local terms energy: -66.810936
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -206.193266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.193266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.193266 (E_RNA)
where:
Base-Base interactions energy: -132.728
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.088
local terms energy: -73.378026
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -19.324
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: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -191.623945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.623945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.623945 (E_RNA)
where:
Base-Base interactions energy: -120.105
where: short stacking energy: -56.180
Base-Backbone interact. energy: -0.056
local terms energy: -71.462923
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -15.647
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: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -194.471895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.471895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.471895 (E_RNA)
where:
Base-Base interactions energy: -119.430
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.005
local terms energy: -75.036477
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -184.148659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.148659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.148659 (E_RNA)
where:
Base-Base interactions energy: -119.355
where: short stacking energy: -60.009
Base-Backbone interact. energy: -0.101
local terms energy: -64.692327
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -191.830776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.830776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.830776 (E_RNA)
where:
Base-Base interactions energy: -118.631
where: short stacking energy: -58.539
Base-Backbone interact. energy: -0.054
local terms energy: -73.145699
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -165.076404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.076404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.076404 (E_RNA)
where:
Base-Base interactions energy: -103.251
where: short stacking energy: -49.333
Base-Backbone interact. energy: -0.035
local terms energy: -61.790444
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -12.572
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: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -89.077044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.077044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.077044 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -29.838
Base-Backbone interact. energy: -0.198
local terms energy: -57.560261
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -3.503
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: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -82.537318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.537318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.537318 (E_RNA)
where:
Base-Base interactions energy: -26.846
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.265
local terms energy: -55.426893
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -72.307182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.307182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.307182 (E_RNA)
where:
Base-Base interactions energy: -26.084
where: short stacking energy: -26.084
Base-Backbone interact. energy: 0.983
local terms energy: -47.206305
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -8.582
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: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -210.369209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.369209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.369209 (E_RNA)
where:
Base-Base interactions energy: -135.289
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.866
local terms energy: -74.214501
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -192.081272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.081272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.081272 (E_RNA)
where:
Base-Base interactions energy: -117.822
where: short stacking energy: -53.836
Base-Backbone interact. energy: -0.001
local terms energy: -74.258821
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -12.077
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: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -203.362522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.362522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.362522 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -60.053
Base-Backbone interact. energy: -0.080
local terms energy: -67.760777
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -14.662
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: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -192.958033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.958033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.958033 (E_RNA)
where:
Base-Base interactions energy: -129.717
where: short stacking energy: -66.540
Base-Backbone interact. energy: -0.007
local terms energy: -63.234083
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -16.855
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: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -188.072056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.072056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.072056 (E_RNA)
where:
Base-Base interactions energy: -125.614
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.502
local terms energy: -61.956415
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -179.676487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.676487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.676487 (E_RNA)
where:
Base-Base interactions energy: -114.480
where: short stacking energy: -53.314
Base-Backbone interact. energy: -0.027
local terms energy: -65.168882
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -12.733
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: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -179.879308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.879308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.879308 (E_RNA)
where:
Base-Base interactions energy: -118.725
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.713
local terms energy: -60.441078
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -85.165939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.165939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.165939 (E_RNA)
where:
Base-Base interactions energy: -38.271
where: short stacking energy: -31.129
Base-Backbone interact. energy: -0.077
local terms energy: -46.817465
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -1.390
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: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -89.447395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.447395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.447395 (E_RNA)
where:
Base-Base interactions energy: -40.235
where: short stacking energy: -37.775
Base-Backbone interact. energy: -0.063
local terms energy: -49.149552
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -80.425231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.425231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.425231 (E_RNA)
where:
Base-Base interactions energy: -31.183
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.317
local terms energy: -48.926010
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -8.335
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -1.649
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: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -210.399552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.399552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399552 (E_RNA)
where:
Base-Base interactions energy: -136.708
where: short stacking energy: -64.871
Base-Backbone interact. energy: -0.103
local terms energy: -73.588420
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -213.458815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.458815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.458815 (E_RNA)
where:
Base-Base interactions energy: -133.906
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.076
local terms energy: -79.476366
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -208.766224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.766224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.766224 (E_RNA)
where:
Base-Base interactions energy: -136.856
where: short stacking energy: -65.602
Base-Backbone interact. energy: 0.233
local terms energy: -72.143734
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -192.234620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.234620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.234620 (E_RNA)
where:
Base-Base interactions energy: -122.924
where: short stacking energy: -58.331
Base-Backbone interact. energy: -0.030
local terms energy: -69.280091
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -17.863
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: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -174.442466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.442466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.442466 (E_RNA)
where:
Base-Base interactions energy: -105.178
where: short stacking energy: -49.578
Base-Backbone interact. energy: -0.017
local terms energy: -69.247804
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -180.234012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.234012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.234012 (E_RNA)
where:
Base-Base interactions energy: -114.441
where: short stacking energy: -45.223
Base-Backbone interact. energy: -0.538
local terms energy: -65.255759
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -10.884
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: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -173.782834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.782834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.782834 (E_RNA)
where:
Base-Base interactions energy: -114.870
where: short stacking energy: -49.694
Base-Backbone interact. energy: -0.108
local terms energy: -58.805066
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -79.954292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.954292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.954292 (E_RNA)
where:
Base-Base interactions energy: -41.557
where: short stacking energy: -35.236
Base-Backbone interact. energy: 2.598
local terms energy: -40.995301
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -5.493
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -2.815
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: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -78.927802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.927802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.927802 (E_RNA)
where:
Base-Base interactions energy: -34.971
where: short stacking energy: -21.661
Base-Backbone interact. energy: 1.075
local terms energy: -45.031381
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -81.494913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.494913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.494913 (E_RNA)
where:
Base-Base interactions energy: -30.112
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.741
local terms energy: -50.641133
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -5.500
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: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -209.438505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.438505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.438505 (E_RNA)
where:
Base-Base interactions energy: -136.300
where: short stacking energy: -65.301
Base-Backbone interact. energy: -0.320
local terms energy: -72.818999
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -206.693926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.693926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.693926 (E_RNA)
where:
Base-Base interactions energy: -134.724
where: short stacking energy: -63.750
Base-Backbone interact. energy: -0.100
local terms energy: -71.870197
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -200.131136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.131136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.131136 (E_RNA)
where:
Base-Base interactions energy: -131.635
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.002
local terms energy: -68.494702
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -181.318242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.318242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.318242 (E_RNA)
where:
Base-Base interactions energy: -111.683
where: short stacking energy: -46.249
Base-Backbone interact. energy: -0.735
local terms energy: -68.900658
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -194.076906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.076906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.076906 (E_RNA)
where:
Base-Base interactions energy: -120.718
where: short stacking energy: -56.605
Base-Backbone interact. energy: -0.165
local terms energy: -73.194085
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -159.760786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.760786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.760786 (E_RNA)
where:
Base-Base interactions energy: -99.140
where: short stacking energy: -51.455
Base-Backbone interact. energy: -0.089
local terms energy: -60.532062
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -13.138
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: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -153.293123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.293123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.293123 (E_RNA)
where:
Base-Base interactions energy: -93.204
where: short stacking energy: -40.525
Base-Backbone interact. energy: 0.643
local terms energy: -60.732936
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -91.718498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.718498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.718498 (E_RNA)
where:
Base-Base interactions energy: -31.391
where: short stacking energy: -28.254
Base-Backbone interact. energy: -0.122
local terms energy: -60.204989
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -87.692841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.692841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.692841 (E_RNA)
where:
Base-Base interactions energy: -35.443
where: short stacking energy: -28.416
Base-Backbone interact. energy: -0.178
local terms energy: -52.071709
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -7.770
flat angles P-C4'-P energy: -7.568
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: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -71.952381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.952381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.952381 (E_RNA)
where:
Base-Base interactions energy: -31.054
where: short stacking energy: -30.315
Base-Backbone interact. energy: -1.139
local terms energy: -39.758895
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -5.886
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -212.595008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.595008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.595008 (E_RNA)
where:
Base-Base interactions energy: -147.037
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.108
local terms energy: -65.450372
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -13.894
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: 321
Temperature: 0.950000
Total energy: -207.535077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.535077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.535077 (E_RNA)
where:
Base-Base interactions energy: -133.622
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.042
local terms energy: -73.871606
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -207.646909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.646909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.646909 (E_RNA)
where:
Base-Base interactions energy: -137.462
where: short stacking energy: -65.646
Base-Backbone interact. energy: -0.000
local terms energy: -70.184236
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -195.723827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.723827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.723827 (E_RNA)
where:
Base-Base interactions energy: -127.057
where: short stacking energy: -58.919
Base-Backbone interact. energy: -0.004
local terms energy: -68.663025
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -168.709490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.709490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.709490 (E_RNA)
where:
Base-Base interactions energy: -107.220
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.024
local terms energy: -61.464771
where:
bonds (distance) C4'-P energy: -6.569
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -179.938069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.938069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.938069 (E_RNA)
where:
Base-Base interactions energy: -111.980
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.168
local terms energy: -67.789594
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -153.203548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.203548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.203548 (E_RNA)
where:
Base-Base interactions energy: -95.466
where: short stacking energy: -46.929
Base-Backbone interact. energy: -0.012
local terms energy: -57.725498
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -87.886352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.886352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.886352 (E_RNA)
where:
Base-Base interactions energy: -34.680
where: short stacking energy: -31.469
Base-Backbone interact. energy: -0.436
local terms energy: -52.769950
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -2.562
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: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -81.147467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.147467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.147467 (E_RNA)
where:
Base-Base interactions energy: -26.736
where: short stacking energy: -26.201
Base-Backbone interact. energy: -0.105
local terms energy: -54.306883
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -68.235899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.235899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.235899 (E_RNA)
where:
Base-Base interactions energy: -26.362
where: short stacking energy: -25.367
Base-Backbone interact. energy: -0.544
local terms energy: -41.329838
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -8.188
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -6.144
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: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -210.718115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.718115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.718115 (E_RNA)
where:
Base-Base interactions energy: -139.039
where: short stacking energy: -54.190
Base-Backbone interact. energy: 0.436
local terms energy: -72.114326
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -16.262
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -205.918950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.918950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.918950 (E_RNA)
where:
Base-Base interactions energy: -132.090
where: short stacking energy: -62.633
Base-Backbone interact. energy: -0.145
local terms energy: -73.683933
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -196.784825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.784825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.784825 (E_RNA)
where:
Base-Base interactions energy: -123.016
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.100
local terms energy: -73.669082
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -195.193761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.193761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.193761 (E_RNA)
where:
Base-Base interactions energy: -133.733
where: short stacking energy: -59.908
Base-Backbone interact. energy: 0.431
local terms energy: -61.891828
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -165.864088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.864088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.864088 (E_RNA)
where:
Base-Base interactions energy: -99.934
where: short stacking energy: -51.369
Base-Backbone interact. energy: -1.140
local terms energy: -64.790669
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -167.433471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.433471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.433471 (E_RNA)
where:
Base-Base interactions energy: -102.432
where: short stacking energy: -50.543
Base-Backbone interact. energy: -0.940
local terms energy: -64.061424
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -13.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -158.321682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.321682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.321682 (E_RNA)
where:
Base-Base interactions energy: -100.988
where: short stacking energy: -50.998
Base-Backbone interact. energy: -0.182
local terms energy: -57.151565
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -95.535274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.535274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.535274 (E_RNA)
where:
Base-Base interactions energy: -48.911
where: short stacking energy: -47.582
Base-Backbone interact. energy: 0.827
local terms energy: -47.450982
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -7.994
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -9.473
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: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -84.563282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.563282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.563282 (E_RNA)
where:
Base-Base interactions energy: -36.271
where: short stacking energy: -32.521
Base-Backbone interact. energy: -0.190
local terms energy: -48.102644
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -82.572048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572048 (E_RNA)
where:
Base-Base interactions energy: -28.011
where: short stacking energy: -14.604
Base-Backbone interact. energy: -0.178
local terms energy: -54.382585
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -213.782089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.782089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.782089 (E_RNA)
where:
Base-Base interactions energy: -134.068
where: short stacking energy: -65.174
Base-Backbone interact. energy: -0.007
local terms energy: -79.707142
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -20.918
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: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -199.394359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.394359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.394359 (E_RNA)
where:
Base-Base interactions energy: -128.940
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.381
local terms energy: -70.073794
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -194.489971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.489971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.489971 (E_RNA)
where:
Base-Base interactions energy: -124.892
where: short stacking energy: -50.590
Base-Backbone interact. energy: -0.871
local terms energy: -68.726959
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -189.185233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.185233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.185233 (E_RNA)
where:
Base-Base interactions energy: -116.198
where: short stacking energy: -63.326
Base-Backbone interact. energy: -0.890
local terms energy: -72.097871
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -181.810342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.810342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.810342 (E_RNA)
where:
Base-Base interactions energy: -114.929
where: short stacking energy: -51.474
Base-Backbone interact. energy: 0.066
local terms energy: -66.946639
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -151.712923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.712923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.712923 (E_RNA)
where:
Base-Base interactions energy: -90.390
where: short stacking energy: -40.893
Base-Backbone interact. energy: -0.247
local terms energy: -61.075938
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -6.816
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: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -163.088256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.088256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.088256 (E_RNA)
where:
Base-Base interactions energy: -103.061
where: short stacking energy: -39.567
Base-Backbone interact. energy: -0.534
local terms energy: -59.492901
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -88.387012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.387012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.387012 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -23.898
Base-Backbone interact. energy: -0.101
local terms energy: -63.071698
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -84.944586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.944586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.944586 (E_RNA)
where:
Base-Base interactions energy: -39.369
where: short stacking energy: -31.826
Base-Backbone interact. energy: -0.514
local terms energy: -45.061825
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -84.863913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.863913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.863913 (E_RNA)
where:
Base-Base interactions energy: -29.253
where: short stacking energy: -29.253
Base-Backbone interact. energy: -0.310
local terms energy: -55.301086
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -4.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -210.744496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.744496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.744496 (E_RNA)
where:
Base-Base interactions energy: -139.180
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.079
local terms energy: -71.485869
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -210.540136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.540136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.540136 (E_RNA)
where:
Base-Base interactions energy: -135.874
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.174
local terms energy: -74.491916
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -195.790479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.790479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.790479 (E_RNA)
where:
Base-Base interactions energy: -124.863
where: short stacking energy: -69.948
Base-Backbone interact. energy: -0.039
local terms energy: -70.888716
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -2.806
tors. eta vs tors. theta energy: -17.859
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: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -183.159131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.159131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.159131 (E_RNA)
where:
Base-Base interactions energy: -114.648
where: short stacking energy: -51.471
Base-Backbone interact. energy: -0.211
local terms energy: -68.299503
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -179.062692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.062692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.062692 (E_RNA)
where:
Base-Base interactions energy: -118.529
where: short stacking energy: -45.202
Base-Backbone interact. energy: -0.620
local terms energy: -59.914018
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -127.097209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.097209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.097209 (E_RNA)
where:
Base-Base interactions energy: -73.309
where: short stacking energy: -43.005
Base-Backbone interact. energy: -0.123
local terms energy: -53.665138
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -138.417155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.417155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.417155 (E_RNA)
where:
Base-Base interactions energy: -85.327
where: short stacking energy: -46.000
Base-Backbone interact. energy: -0.413
local terms energy: -52.677395
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -5.166
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: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -85.572942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.572942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.572942 (E_RNA)
where:
Base-Base interactions energy: -30.354
where: short stacking energy: -31.754
Base-Backbone interact. energy: 1.089
local terms energy: -56.307908
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -3.780
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: 324
Temperature: 1.300000
Total energy: -73.501477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.501477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.501477 (E_RNA)
where:
Base-Base interactions energy: -22.626
where: short stacking energy: -22.626
Base-Backbone interact. energy: 0.490
local terms energy: -51.364612
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -86.153477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.153477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.153477 (E_RNA)
where:
Base-Base interactions energy: -33.152
where: short stacking energy: -23.159
Base-Backbone interact. energy: 0.123
local terms energy: -53.124935
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -207.138051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.138051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.138051 (E_RNA)
where:
Base-Base interactions energy: -137.885
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.123
local terms energy: -69.129763
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.205
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: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -199.050873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050873 (E_RNA)
where:
Base-Base interactions energy: -125.896
where: short stacking energy: -65.522
Base-Backbone interact. energy: -0.041
local terms energy: -73.114109
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -18.716
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: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -197.548437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.548437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.548437 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.007
local terms energy: -73.194388
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -191.362619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.362619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.362619 (E_RNA)
where:
Base-Base interactions energy: -116.561
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.002
local terms energy: -74.799181
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -15.196
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: 325
Temperature: 1.100000
Total energy: -192.078087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.078087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.078087 (E_RNA)
where:
Base-Base interactions energy: -125.781
where: short stacking energy: -54.271
Base-Backbone interact. energy: 0.685
local terms energy: -66.981913
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -133.668766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.668766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.668766 (E_RNA)
where:
Base-Base interactions energy: -87.139
where: short stacking energy: -35.958
Base-Backbone interact. energy: 1.102
local terms energy: -47.631303
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -111.316845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.316845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.316845 (E_RNA)
where:
Base-Base interactions energy: -61.785
where: short stacking energy: -40.352
Base-Backbone interact. energy: -0.445
local terms energy: -49.087224
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -8.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -89.283491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.283491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.283491 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -13.119
Base-Backbone interact. energy: 0.074
local terms energy: -54.906558
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: 5.678
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: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -86.290486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.290486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.290486 (E_RNA)
where:
Base-Base interactions energy: -43.813
where: short stacking energy: -24.743
Base-Backbone interact. energy: -0.415
local terms energy: -42.062983
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -8.121
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -82.089170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.089170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.089170 (E_RNA)
where:
Base-Base interactions energy: -32.792
where: short stacking energy: -20.770
Base-Backbone interact. energy: -0.799
local terms energy: -48.498063
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -212.740335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.740335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.740335 (E_RNA)
where:
Base-Base interactions energy: -132.955
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.872
local terms energy: -78.914173
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -12.110
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: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -203.756383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.756383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.756383 (E_RNA)
where:
Base-Base interactions energy: -126.295
where: short stacking energy: -63.973
Base-Backbone interact. energy: -0.877
local terms energy: -76.584639
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -200.642352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.642352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.642352 (E_RNA)
where:
Base-Base interactions energy: -124.284
where: short stacking energy: -60.145
Base-Backbone interact. energy: -0.025
local terms energy: -76.333386
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -190.023805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.023805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.023805 (E_RNA)
where:
Base-Base interactions energy: -123.710
where: short stacking energy: -57.836
Base-Backbone interact. energy: 0.347
local terms energy: -66.660841
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -15.944
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: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -192.252495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.252495 (E_RNA)
where:
Base-Base interactions energy: -125.968
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.204
local terms energy: -66.080633
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -106.828099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.828099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.828099 (E_RNA)
where:
Base-Base interactions energy: -42.588
where: short stacking energy: -41.921
Base-Backbone interact. energy: -0.171
local terms energy: -64.069847
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -8.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -98.812512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.812512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.812512 (E_RNA)
where:
Base-Base interactions energy: -41.876
where: short stacking energy: -41.281
Base-Backbone interact. energy: -0.100
local terms energy: -56.836409
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -84.177920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.177920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.177920 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -23.620
Base-Backbone interact. energy: -0.125
local terms energy: -49.499685
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: 2.540
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: 326
Temperature: 1.300000
Total energy: -90.187719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.187719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.187719 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.473
local terms energy: -53.869818
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -80.418294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.418294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.418294 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -28.943
Base-Backbone interact. energy: -0.177
local terms energy: -49.437161
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -210.031917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.031917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.031917 (E_RNA)
where:
Base-Base interactions energy: -130.503
where: short stacking energy: -67.865
Base-Backbone interact. energy: -0.338
local terms energy: -79.190557
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -207.685597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.685597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.685597 (E_RNA)
where:
Base-Base interactions energy: -145.799
where: short stacking energy: -60.310
Base-Backbone interact. energy: 0.325
local terms energy: -62.212056
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -202.386589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.386589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.386589 (E_RNA)
where:
Base-Base interactions energy: -136.428
where: short stacking energy: -49.486
Base-Backbone interact. energy: -0.133
local terms energy: -65.825740
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -195.273951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.273951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.273951 (E_RNA)
where:
Base-Base interactions energy: -131.417
where: short stacking energy: -53.477
Base-Backbone interact. energy: -0.035
local terms energy: -63.822294
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -172.750879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.750879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.750879 (E_RNA)
where:
Base-Base interactions energy: -102.893
where: short stacking energy: -52.422
Base-Backbone interact. energy: -0.034
local terms energy: -69.823793
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -92.033884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.033884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.033884 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.474
local terms energy: -54.589364
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -98.239640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.239640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.239640 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -36.096
Base-Backbone interact. energy: -0.027
local terms energy: -53.295080
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -79.129185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.129185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.129185 (E_RNA)
where:
Base-Base interactions energy: -29.723
where: short stacking energy: -29.723
Base-Backbone interact. energy: -0.070
local terms energy: -49.336556
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -95.135064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.135064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.135064 (E_RNA)
where:
Base-Base interactions energy: -49.236
where: short stacking energy: -39.542
Base-Backbone interact. energy: -0.033
local terms energy: -45.866046
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -83.120205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.120205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.120205 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.079
local terms energy: -51.248838
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -0.482
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: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -209.241680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.241680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.241680 (E_RNA)
where:
Base-Base interactions energy: -134.348
where: short stacking energy: -63.710
Base-Backbone interact. energy: 0.609
local terms energy: -75.502130
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -16.024
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: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -195.967105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.967105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.967105 (E_RNA)
where:
Base-Base interactions energy: -118.669
where: short stacking energy: -62.160
Base-Backbone interact. energy: -0.595
local terms energy: -76.703403
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -194.164330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.164330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.164330 (E_RNA)
where:
Base-Base interactions energy: -123.749
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.765
local terms energy: -69.650423
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -193.487497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.487497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.487497 (E_RNA)
where:
Base-Base interactions energy: -125.281
where: short stacking energy: -47.413
Base-Backbone interact. energy: -0.293
local terms energy: -67.912924
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -171.264132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.264132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.264132 (E_RNA)
where:
Base-Base interactions energy: -106.095
where: short stacking energy: -55.208
Base-Backbone interact. energy: 0.131
local terms energy: -65.300557
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -14.027
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: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -89.524795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524795 (E_RNA)
where:
Base-Base interactions energy: -46.163
where: short stacking energy: -19.481
Base-Backbone interact. energy: -0.443
local terms energy: -42.918813
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: 1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -81.982042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.982042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.982042 (E_RNA)
where:
Base-Base interactions energy: -27.597
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.216
local terms energy: -54.169535
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -79.828314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.828314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.828314 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -28.762
Base-Backbone interact. energy: -0.466
local terms energy: -47.565211
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -7.936
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: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -93.786736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.786736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.786736 (E_RNA)
where:
Base-Base interactions energy: -51.607
where: short stacking energy: -28.768
Base-Backbone interact. energy: 0.026
local terms energy: -42.205174
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -79.814414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.814414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.814414 (E_RNA)
where:
Base-Base interactions energy: -32.491
where: short stacking energy: -32.491
Base-Backbone interact. energy: -0.002
local terms energy: -47.321840
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -207.772159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.772159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.772159 (E_RNA)
where:
Base-Base interactions energy: -140.324
where: short stacking energy: -59.951
Base-Backbone interact. energy: 0.181
local terms energy: -67.628596
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -17.962
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: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -205.274610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.274610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.274610 (E_RNA)
where:
Base-Base interactions energy: -133.721
where: short stacking energy: -62.811
Base-Backbone interact. energy: -0.168
local terms energy: -71.385853
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -19.114
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: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -201.109029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.109029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.109029 (E_RNA)
where:
Base-Base interactions energy: -128.003
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.100
local terms energy: -73.005852
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -18.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -196.064968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.064968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.064968 (E_RNA)
where:
Base-Base interactions energy: -129.554
where: short stacking energy: -62.024
Base-Backbone interact. energy: -0.442
local terms energy: -66.068504
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -7.545
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -160.386714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.386714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.386714 (E_RNA)
where:
Base-Base interactions energy: -106.677
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.192
local terms energy: -53.518452
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -4.968
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: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -148.918180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.918180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.918180 (E_RNA)
where:
Base-Base interactions energy: -98.825
where: short stacking energy: -51.994
Base-Backbone interact. energy: -0.196
local terms energy: -49.897417
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -84.296715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.296715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.296715 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.183
local terms energy: -50.219495
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -10.199
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -98.212493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.212493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.212493 (E_RNA)
where:
Base-Base interactions energy: -52.424
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.583
local terms energy: -45.205458
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -78.005629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.005629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.005629 (E_RNA)
where:
Base-Base interactions energy: -28.770
where: short stacking energy: -28.528
Base-Backbone interact. energy: -0.112
local terms energy: -49.122727
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -75.404150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.404150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.404150 (E_RNA)
where:
Base-Base interactions energy: -22.322
where: short stacking energy: -22.322
Base-Backbone interact. energy: -0.038
local terms energy: -53.044570
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -211.712511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.712511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.712511 (E_RNA)
where:
Base-Base interactions energy: -135.117
where: short stacking energy: -67.854
Base-Backbone interact. energy: -0.058
local terms energy: -76.537931
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -19.033
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: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -200.380998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.380998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.380998 (E_RNA)
where:
Base-Base interactions energy: -126.953
where: short stacking energy: -56.418
Base-Backbone interact. energy: -0.595
local terms energy: -72.833382
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -16.356
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: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -198.264217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.264217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.264217 (E_RNA)
where:
Base-Base interactions energy: -128.011
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.436
local terms energy: -69.817464
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -14.126
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: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -188.259810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.259810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.259810 (E_RNA)
where:
Base-Base interactions energy: -119.903
where: short stacking energy: -51.900
Base-Backbone interact. energy: -0.100
local terms energy: -68.256860
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -15.213
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: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -141.961044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.961044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.961044 (E_RNA)
where:
Base-Base interactions energy: -79.872
where: short stacking energy: -43.765
Base-Backbone interact. energy: -0.365
local terms energy: -61.724329
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -165.388546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.388546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.388546 (E_RNA)
where:
Base-Base interactions energy: -102.393
where: short stacking energy: -43.696
Base-Backbone interact. energy: 0.111
local terms energy: -63.106329
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -9.793
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: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -99.247447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.247447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.247447 (E_RNA)
where:
Base-Base interactions energy: -48.341
where: short stacking energy: -31.481
Base-Backbone interact. energy: -0.140
local terms energy: -50.767160
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: 0.711
tors. eta vs tors. theta energy: -8.006
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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -88.784374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.784374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.784374 (E_RNA)
where:
Base-Base interactions energy: -35.409
where: short stacking energy: -35.409
Base-Backbone interact. energy: -0.719
local terms energy: -52.656517
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -88.347428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.347428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.347428 (E_RNA)
where:
Base-Base interactions energy: -46.185
where: short stacking energy: -17.115
Base-Backbone interact. energy: -0.205
local terms energy: -41.957423
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: 2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -76.964258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.964258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.964258 (E_RNA)
where:
Base-Base interactions energy: -31.042
where: short stacking energy: -31.042
Base-Backbone interact. energy: -0.126
local terms energy: -45.796389
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -7.693
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -6.259
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: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -202.135103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.135103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.135103 (E_RNA)
where:
Base-Base interactions energy: -131.958
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.191
local terms energy: -69.985965
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -12.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -200.636337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.636337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.636337 (E_RNA)
where:
Base-Base interactions energy: -130.347
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.121
local terms energy: -70.168605
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -16.999
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: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -190.428830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.428830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.428830 (E_RNA)
where:
Base-Base interactions energy: -119.093
where: short stacking energy: -48.476
Base-Backbone interact. energy: -0.219
local terms energy: -71.117481
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -190.759170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.759170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.759170 (E_RNA)
where:
Base-Base interactions energy: -128.790
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.648
local terms energy: -61.321528
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -12.490
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: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -99.292699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.292699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.292699 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.104
local terms energy: -54.690226
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -152.295608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.295608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.295608 (E_RNA)
where:
Base-Base interactions energy: -94.952
where: short stacking energy: -48.228
Base-Backbone interact. energy: -0.179
local terms energy: -57.164831
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -7.794
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: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -96.989197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.989197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.989197 (E_RNA)
where:
Base-Base interactions energy: -42.083
where: short stacking energy: -29.586
Base-Backbone interact. energy: -0.212
local terms energy: -54.694682
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -82.400974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.400974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.400974 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -29.641
Base-Backbone interact. energy: -0.451
local terms energy: -44.315826
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -1.954
tors. eta vs tors. theta energy: -1.325
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: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -81.798791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.798791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.798791 (E_RNA)
where:
Base-Base interactions energy: -29.844
where: short stacking energy: -29.947
Base-Backbone interact. energy: -0.008
local terms energy: -51.946422
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -75.325639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.325639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.325639 (E_RNA)
where:
Base-Base interactions energy: -24.944
where: short stacking energy: -20.642
Base-Backbone interact. energy: -0.144
local terms energy: -50.237080
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -3.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -204.347243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.347243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.347243 (E_RNA)
where:
Base-Base interactions energy: -126.722
where: short stacking energy: -61.900
Base-Backbone interact. energy: -0.206
local terms energy: -77.419060
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -202.380643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.380643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.380643 (E_RNA)
where:
Base-Base interactions energy: -129.248
where: short stacking energy: -62.471
Base-Backbone interact. energy: -0.019
local terms energy: -73.113617
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -198.082951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.082951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.082951 (E_RNA)
where:
Base-Base interactions energy: -129.844
where: short stacking energy: -63.831
Base-Backbone interact. energy: -0.054
local terms energy: -68.184922
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -195.870066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.870066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.870066 (E_RNA)
where:
Base-Base interactions energy: -125.700
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.176
local terms energy: -69.993682
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -171.085031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.085031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.085031 (E_RNA)
where:
Base-Base interactions energy: -112.293
where: short stacking energy: -48.578
Base-Backbone interact. energy: -0.123
local terms energy: -58.669066
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -10.488
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: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -131.338289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.338289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.338289 (E_RNA)
where:
Base-Base interactions energy: -72.334
where: short stacking energy: -38.253
Base-Backbone interact. energy: -0.415
local terms energy: -58.589290
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -1.927
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: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -86.381441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.381441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.381441 (E_RNA)
where:
Base-Base interactions energy: -40.411
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.522
local terms energy: -45.448458
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -5.278
tors. eta vs tors. theta energy: -1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -78.285583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.285583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.285583 (E_RNA)
where:
Base-Base interactions energy: -34.756
where: short stacking energy: -19.924
Base-Backbone interact. energy: 0.306
local terms energy: -43.836178
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: 5.184
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: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -77.595796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.595796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.595796 (E_RNA)
where:
Base-Base interactions energy: -27.134
where: short stacking energy: -27.134
Base-Backbone interact. energy: -0.271
local terms energy: -50.190234
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -82.339170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.339170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.339170 (E_RNA)
where:
Base-Base interactions energy: -30.827
where: short stacking energy: -30.827
Base-Backbone interact. energy: -0.004
local terms energy: -51.508659
where:
bonds (distance) C4'-P energy: -7.330
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -213.086696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.086696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.086696 (E_RNA)
where:
Base-Base interactions energy: -138.272
where: short stacking energy: -72.510
Base-Backbone interact. energy: -0.853
local terms energy: -73.961679
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -204.246564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.246564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.246564 (E_RNA)
where:
Base-Base interactions energy: -126.972
where: short stacking energy: -64.025
Base-Backbone interact. energy: 0.129
local terms energy: -77.403315
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -192.952768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.952768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.952768 (E_RNA)
where:
Base-Base interactions energy: -124.241
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.075
local terms energy: -68.637333
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -190.104326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.104326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.104326 (E_RNA)
where:
Base-Base interactions energy: -121.639
where: short stacking energy: -52.174
Base-Backbone interact. energy: -0.193
local terms energy: -68.271925
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -189.947993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.947993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.947993 (E_RNA)
where:
Base-Base interactions energy: -124.625
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.668
local terms energy: -64.654778
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -20.124
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: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -107.717229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.717229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.717229 (E_RNA)
where:
Base-Base interactions energy: -61.219
where: short stacking energy: -40.548
Base-Backbone interact. energy: 0.492
local terms energy: -46.990214
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: 0.135
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -77.542849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.542849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.542849 (E_RNA)
where:
Base-Base interactions energy: -23.429
where: short stacking energy: -22.849
Base-Backbone interact. energy: -0.025
local terms energy: -54.088998
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -3.283
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: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -76.576181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.576181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.576181 (E_RNA)
where:
Base-Base interactions energy: -29.480
where: short stacking energy: -17.386
Base-Backbone interact. energy: 0.661
local terms energy: -47.757191
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: 2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -82.647503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.647503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.647503 (E_RNA)
where:
Base-Base interactions energy: -32.302
where: short stacking energy: -32.302
Base-Backbone interact. energy: -0.063
local terms energy: -50.282846
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -73.748276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.748276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.748276 (E_RNA)
where:
Base-Base interactions energy: -30.320
where: short stacking energy: -30.320
Base-Backbone interact. energy: -0.271
local terms energy: -43.157592
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -1.254
tors. eta vs tors. theta energy: -4.196
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: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -211.990043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990043 (E_RNA)
where:
Base-Base interactions energy: -138.765
where: short stacking energy: -67.342
Base-Backbone interact. energy: -0.123
local terms energy: -73.101781
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -199.491605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.491605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.491605 (E_RNA)
where:
Base-Base interactions energy: -133.838
where: short stacking energy: -65.679
Base-Backbone interact. energy: -0.856
local terms energy: -64.797557
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -14.716
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: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -198.414744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.414744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.414744 (E_RNA)
where:
Base-Base interactions energy: -126.545
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.085
local terms energy: -71.784483
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -190.358618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.358618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.358618 (E_RNA)
where:
Base-Base interactions energy: -122.039
where: short stacking energy: -53.842
Base-Backbone interact. energy: 1.515
local terms energy: -69.835323
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -193.509240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.509240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.509240 (E_RNA)
where:
Base-Base interactions energy: -128.436
where: short stacking energy: -52.376
Base-Backbone interact. energy: -0.159
local terms energy: -64.913925
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -8.527
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: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -122.302276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.302276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.302276 (E_RNA)
where:
Base-Base interactions energy: -63.191
where: short stacking energy: -42.590
Base-Backbone interact. energy: -0.615
local terms energy: -58.497104
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -91.922494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.922494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.922494 (E_RNA)
where:
Base-Base interactions energy: -35.901
where: short stacking energy: -32.727
Base-Backbone interact. energy: -0.248
local terms energy: -55.774036
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -0.993
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: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -97.887149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.887149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.887149 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -35.268
Base-Backbone interact. energy: -1.240
local terms energy: -61.478792
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -90.914146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.914146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.914146 (E_RNA)
where:
Base-Base interactions energy: -37.782
where: short stacking energy: -37.782
Base-Backbone interact. energy: -0.009
local terms energy: -53.122773
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -78.285964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.285964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.285964 (E_RNA)
where:
Base-Base interactions energy: -27.751
where: short stacking energy: -25.414
Base-Backbone interact. energy: -0.334
local terms energy: -50.201315
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -7.941
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -5.627
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: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -213.411390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.411390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.411390 (E_RNA)
where:
Base-Base interactions energy: -132.831
where: short stacking energy: -66.885
Base-Backbone interact. energy: -0.010
local terms energy: -80.570294
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -202.306861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.306861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.306861 (E_RNA)
where:
Base-Base interactions energy: -130.063
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.005
local terms energy: -72.238496
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.234
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: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -192.466613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.466613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.466613 (E_RNA)
where:
Base-Base interactions energy: -131.524
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.028
local terms energy: -60.914779
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -196.021682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.021682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.021682 (E_RNA)
where:
Base-Base interactions energy: -127.225
where: short stacking energy: -50.557
Base-Backbone interact. energy: -0.387
local terms energy: -68.409698
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -189.556221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.556221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.556221 (E_RNA)
where:
Base-Base interactions energy: -123.597
where: short stacking energy: -53.413
Base-Backbone interact. energy: 0.019
local terms energy: -65.977682
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -149.023582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.023582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.023582 (E_RNA)
where:
Base-Base interactions energy: -93.748
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.291
local terms energy: -54.984381
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -7.645
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: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -105.863031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.863031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.863031 (E_RNA)
where:
Base-Base interactions energy: -57.219
where: short stacking energy: -30.102
Base-Backbone interact. energy: -0.519
local terms energy: -48.124690
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: 3.787
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: 335
Temperature: 1.250000
Total energy: -98.956459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.956459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.956459 (E_RNA)
where:
Base-Base interactions energy: -47.636
where: short stacking energy: -43.855
Base-Backbone interact. energy: -1.664
local terms energy: -49.657098
where:
bonds (distance) C4'-P energy: -6.726
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -79.312877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.312877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.312877 (E_RNA)
where:
Base-Base interactions energy: -28.814
where: short stacking energy: -28.814
Base-Backbone interact. energy: -0.178
local terms energy: -50.321580
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -8.729
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -71.941524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.941524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.941524 (E_RNA)
where:
Base-Base interactions energy: -21.409
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.141
local terms energy: -50.391029
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -5.024
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: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -202.063484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.063484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.063484 (E_RNA)
where:
Base-Base interactions energy: -126.933
where: short stacking energy: -63.101
Base-Backbone interact. energy: -0.067
local terms energy: -75.064097
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.545
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: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -206.168544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.168544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.168544 (E_RNA)
where:
Base-Base interactions energy: -131.010
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.058
local terms energy: -75.100311
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -185.158395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.158395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.158395 (E_RNA)
where:
Base-Base interactions energy: -117.741
where: short stacking energy: -57.232
Base-Backbone interact. energy: -0.035
local terms energy: -67.381854
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -192.947507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.947507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.947507 (E_RNA)
where:
Base-Base interactions energy: -125.070
where: short stacking energy: -62.993
Base-Backbone interact. energy: -2.084
local terms energy: -65.793489
where:
bonds (distance) C4'-P energy: -6.419
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -187.791281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.791281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.791281 (E_RNA)
where:
Base-Base interactions energy: -122.706
where: short stacking energy: -57.268
Base-Backbone interact. energy: -0.179
local terms energy: -64.906042
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -164.046775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.046775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.046775 (E_RNA)
where:
Base-Base interactions energy: -102.555
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.092
local terms energy: -61.400267
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -100.020848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.020848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.020848 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -36.651
Base-Backbone interact. energy: -0.205
local terms energy: -50.180921
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -1.030
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: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -86.995581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.995581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.995581 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -33.297
Base-Backbone interact. energy: 0.460
local terms energy: -48.711323
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -74.542869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.542869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.542869 (E_RNA)
where:
Base-Base interactions energy: -27.761
where: short stacking energy: -20.859
Base-Backbone interact. energy: -0.511
local terms energy: -46.269935
where:
bonds (distance) C4'-P energy: -6.399
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -81.443211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.443211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.443211 (E_RNA)
where:
Base-Base interactions energy: -26.874
where: short stacking energy: -23.684
Base-Backbone interact. energy: -0.369
local terms energy: -54.200047
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -2.410
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: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -203.121252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.121252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.121252 (E_RNA)
where:
Base-Base interactions energy: -127.632
where: short stacking energy: -62.899
Base-Backbone interact. energy: -0.023
local terms energy: -75.465927
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -202.384821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.384821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.384821 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -59.494
Base-Backbone interact. energy: -0.051
local terms energy: -74.919752
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -202.980569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.980569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.980569 (E_RNA)
where:
Base-Base interactions energy: -132.738
where: short stacking energy: -68.602
Base-Backbone interact. energy: -0.607
local terms energy: -69.635635
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -207.195848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.195848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.195848 (E_RNA)
where:
Base-Base interactions energy: -137.097
where: short stacking energy: -70.303
Base-Backbone interact. energy: -0.011
local terms energy: -70.087589
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -182.031447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.031447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.031447 (E_RNA)
where:
Base-Base interactions energy: -118.031
where: short stacking energy: -59.356
Base-Backbone interact. energy: -0.023
local terms energy: -63.977223
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -165.668070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.668070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.668070 (E_RNA)
where:
Base-Base interactions energy: -107.947
where: short stacking energy: -45.524
Base-Backbone interact. energy: 0.133
local terms energy: -57.854556
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -149.814276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.814276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.814276 (E_RNA)
where:
Base-Base interactions energy: -86.491
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.237
local terms energy: -63.086405
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -80.083429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.083429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.083429 (E_RNA)
where:
Base-Base interactions energy: -29.890
where: short stacking energy: -18.537
Base-Backbone interact. energy: -1.356
local terms energy: -48.837433
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -80.776954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.776954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.776954 (E_RNA)
where:
Base-Base interactions energy: -40.519
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.250
local terms energy: -40.007679
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -9.886
flat angles C4'-P-C4' energy: -8.155
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: 2.086
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: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -79.364659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.364659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.364659 (E_RNA)
where:
Base-Base interactions energy: -32.645
where: short stacking energy: -31.060
Base-Backbone interact. energy: -0.170
local terms energy: -46.548925
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -212.153109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.153109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.153109 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -60.360
Base-Backbone interact. energy: 0.933
local terms energy: -76.679822
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -202.540456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.540456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.540456 (E_RNA)
where:
Base-Base interactions energy: -131.014
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.352
local terms energy: -71.174641
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -203.411688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.411688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.411688 (E_RNA)
where:
Base-Base interactions energy: -134.939
where: short stacking energy: -65.583
Base-Backbone interact. energy: -0.692
local terms energy: -67.780851
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -15.240
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: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -195.015194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.015194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.015194 (E_RNA)
where:
Base-Base interactions energy: -124.728
where: short stacking energy: -61.586
Base-Backbone interact. energy: -0.026
local terms energy: -70.260348
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -197.074302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.074302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.074302 (E_RNA)
where:
Base-Base interactions energy: -132.500
where: short stacking energy: -67.013
Base-Backbone interact. energy: -0.279
local terms energy: -64.295243
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -9.273
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: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -169.462280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.462280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.462280 (E_RNA)
where:
Base-Base interactions energy: -105.781
where: short stacking energy: -52.502
Base-Backbone interact. energy: -0.186
local terms energy: -63.495224
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -155.565917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.565917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.565917 (E_RNA)
where:
Base-Base interactions energy: -94.194
where: short stacking energy: -50.651
Base-Backbone interact. energy: -0.001
local terms energy: -61.370224
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -84.712226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.712226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.712226 (E_RNA)
where:
Base-Base interactions energy: -37.316
where: short stacking energy: -37.316
Base-Backbone interact. energy: -0.273
local terms energy: -47.123256
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -3.143
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: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -79.411057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.411057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.411057 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -18.728
Base-Backbone interact. energy: -0.245
local terms energy: -44.497354
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -6.836
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -79.809995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.809995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.809995 (E_RNA)
where:
Base-Base interactions energy: -26.574
where: short stacking energy: -26.574
Base-Backbone interact. energy: -0.098
local terms energy: -53.137766
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: -8.434
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: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -207.811916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.811916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.811916 (E_RNA)
where:
Base-Base interactions energy: -133.764
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.270
local terms energy: -73.778254
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.701
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: 2, replica: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -206.058765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.058765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.058765 (E_RNA)
where:
Base-Base interactions energy: -133.459
where: short stacking energy: -68.536
Base-Backbone interact. energy: -1.301
local terms energy: -71.298844
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -187.513971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.513971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.513971 (E_RNA)
where:
Base-Base interactions energy: -119.557
where: short stacking energy: -54.317
Base-Backbone interact. energy: 0.200
local terms energy: -68.156419
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -197.455036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.455036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.455036 (E_RNA)
where:
Base-Base interactions energy: -119.934
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.576
local terms energy: -76.945410
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -204.209571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.209571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.209571 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -71.460
Base-Backbone interact. energy: -0.140
local terms energy: -80.331742
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -22.527
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: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -161.325694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.325694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.325694 (E_RNA)
where:
Base-Base interactions energy: -99.192
where: short stacking energy: -54.118
Base-Backbone interact. energy: -0.247
local terms energy: -61.886810
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -5.065
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: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -174.007857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.007857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.007857 (E_RNA)
where:
Base-Base interactions energy: -106.266
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.645
local terms energy: -67.096801
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -90.076978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.076978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.076978 (E_RNA)
where:
Base-Base interactions energy: -30.206
where: short stacking energy: -30.206
Base-Backbone interact. energy: -0.117
local terms energy: -59.754364
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -8.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -88.150549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.150549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.150549 (E_RNA)
where:
Base-Base interactions energy: -36.274
where: short stacking energy: -36.274
Base-Backbone interact. energy: -0.022
local terms energy: -51.854061
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -8.315
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -80.078762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.078762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.078762 (E_RNA)
where:
Base-Base interactions energy: -29.579
where: short stacking energy: -29.579
Base-Backbone interact. energy: -0.110
local terms energy: -50.389673
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -208.014430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.014430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.014430 (E_RNA)
where:
Base-Base interactions energy: -133.289
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.005
local terms energy: -74.719849
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -209.387008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.387008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.387008 (E_RNA)
where:
Base-Base interactions energy: -137.266
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.108
local terms energy: -72.012708
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -192.067387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.067387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.067387 (E_RNA)
where:
Base-Base interactions energy: -121.664
where: short stacking energy: -55.601
Base-Backbone interact. energy: -0.067
local terms energy: -70.336541
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -185.024929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.024929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.024929 (E_RNA)
where:
Base-Base interactions energy: -123.956
where: short stacking energy: -52.255
Base-Backbone interact. energy: -0.017
local terms energy: -61.051207
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -6.930
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: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -176.598729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.598729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.598729 (E_RNA)
where:
Base-Base interactions energy: -115.438
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.169
local terms energy: -60.991442
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -6.227
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: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -177.136626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.136626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.136626 (E_RNA)
where:
Base-Base interactions energy: -112.752
where: short stacking energy: -57.404
Base-Backbone interact. energy: -0.003
local terms energy: -64.381379
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -160.939412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.939412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.939412 (E_RNA)
where:
Base-Base interactions energy: -104.870
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.117
local terms energy: -55.952376
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -4.324
tors. eta vs tors. theta energy: -8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -82.949666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.949666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.949666 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -24.743
Base-Backbone interact. energy: -0.231
local terms energy: -42.870308
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -2.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -96.160225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.160225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.160225 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -36.081
Base-Backbone interact. energy: -0.149
local terms energy: -58.377308
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -79.604901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.604901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.604901 (E_RNA)
where:
Base-Base interactions energy: -26.669
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.068
local terms energy: -52.868251
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -3.329
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: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -206.584738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.584738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.584738 (E_RNA)
where:
Base-Base interactions energy: -129.076
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.553
local terms energy: -76.956283
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -20.484
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: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -203.832344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.832344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.832344 (E_RNA)
where:
Base-Base interactions energy: -128.422
where: short stacking energy: -59.929
Base-Backbone interact. energy: -0.206
local terms energy: -75.203979
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -12.013
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: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -198.124928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.124928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.124928 (E_RNA)
where:
Base-Base interactions energy: -131.760
where: short stacking energy: -68.449
Base-Backbone interact. energy: -0.003
local terms energy: -66.362267
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -189.498387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.498387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.498387 (E_RNA)
where:
Base-Base interactions energy: -119.661
where: short stacking energy: -50.517
Base-Backbone interact. energy: -0.591
local terms energy: -69.246801
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -16.025
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: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -186.670422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.670422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.670422 (E_RNA)
where:
Base-Base interactions energy: -118.564
where: short stacking energy: -60.793
Base-Backbone interact. energy: -0.600
local terms energy: -67.506244
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -16.075
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: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -169.314175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.314175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.314175 (E_RNA)
where:
Base-Base interactions energy: -113.833
where: short stacking energy: -50.810
Base-Backbone interact. energy: -1.342
local terms energy: -54.139703
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -5.842
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: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -179.952211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.952211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.952211 (E_RNA)
where:
Base-Base interactions energy: -118.576
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.001
local terms energy: -61.375255
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -89.207081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.207081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.207081 (E_RNA)
where:
Base-Base interactions energy: -31.785
where: short stacking energy: -30.926
Base-Backbone interact. energy: -0.119
local terms energy: -57.303011
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -85.471523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.471523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.471523 (E_RNA)
where:
Base-Base interactions energy: -37.465
where: short stacking energy: -26.263
Base-Backbone interact. energy: 0.042
local terms energy: -48.049211
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -1.764
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: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -78.855243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.855243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.855243 (E_RNA)
where:
Base-Base interactions energy: -27.967
where: short stacking energy: -26.309
Base-Backbone interact. energy: -0.025
local terms energy: -50.862813
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -1.672
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: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -212.222727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.222727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.222727 (E_RNA)
where:
Base-Base interactions energy: -131.679
where: short stacking energy: -63.177
Base-Backbone interact. energy: -0.282
local terms energy: -80.261796
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -201.968358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.968358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.968358 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.013
local terms energy: -73.117353
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -191.323042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.323042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.323042 (E_RNA)
where:
Base-Base interactions energy: -131.116
where: short stacking energy: -59.321
Base-Backbone interact. energy: 0.085
local terms energy: -60.291305
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -182.905588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.905588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.905588 (E_RNA)
where:
Base-Base interactions energy: -116.589
where: short stacking energy: -64.540
Base-Backbone interact. energy: -0.025
local terms energy: -66.291417
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -145.684331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.684331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.684331 (E_RNA)
where:
Base-Base interactions energy: -87.835
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.059
local terms energy: -57.790359
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.613
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: 6, replica: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -188.102165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.102165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.102165 (E_RNA)
where:
Base-Base interactions energy: -119.806
where: short stacking energy: -57.010
Base-Backbone interact. energy: -0.007
local terms energy: -68.289359
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -186.514740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.514740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.514740 (E_RNA)
where:
Base-Base interactions energy: -112.252
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.013
local terms energy: -74.249484
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -18.846
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: 342
Temperature: 1.250000
Total energy: -99.467886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.467886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.467886 (E_RNA)
where:
Base-Base interactions energy: -33.478
where: short stacking energy: -33.478
Base-Backbone interact. energy: -0.060
local terms energy: -65.930743
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -81.378644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.378644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.378644 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -28.394
Base-Backbone interact. energy: -0.315
local terms energy: -47.487200
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -3.856
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -73.241936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.241936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.241936 (E_RNA)
where:
Base-Base interactions energy: -30.648
where: short stacking energy: -23.104
Base-Backbone interact. energy: -0.050
local terms energy: -42.543780
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -1.253
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: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -212.730274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.730274 (E_RNA)
where:
Base-Base interactions energy: -141.987
where: short stacking energy: -70.748
Base-Backbone interact. energy: 0.652
local terms energy: -71.395836
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -200.171715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.171715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.171715 (E_RNA)
where:
Base-Base interactions energy: -129.597
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.827
local terms energy: -69.748272
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -207.411913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.411913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.411913 (E_RNA)
where:
Base-Base interactions energy: -137.065
where: short stacking energy: -69.611
Base-Backbone interact. energy: 1.144
local terms energy: -71.490276
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -158.758973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.758973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.758973 (E_RNA)
where:
Base-Base interactions energy: -101.052
where: short stacking energy: -51.611
Base-Backbone interact. energy: -0.104
local terms energy: -57.602345
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -6.553
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: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -191.948040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.948040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.948040 (E_RNA)
where:
Base-Base interactions energy: -126.042
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.037
local terms energy: -65.869069
where:
bonds (distance) C4'-P energy: -6.033
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -189.162964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.162964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.162964 (E_RNA)
where:
Base-Base interactions energy: -122.501
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.101
local terms energy: -66.561006
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -158.017397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.017397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.017397 (E_RNA)
where:
Base-Base interactions energy: -103.446
where: short stacking energy: -49.936
Base-Backbone interact. energy: -0.421
local terms energy: -54.150207
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -6.583
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: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -83.350831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.350831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.350831 (E_RNA)
where:
Base-Base interactions energy: -31.001
where: short stacking energy: -25.001
Base-Backbone interact. energy: -0.410
local terms energy: -51.939766
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -9.414
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -83.565837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.565837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.565837 (E_RNA)
where:
Base-Base interactions energy: -31.543
where: short stacking energy: -28.907
Base-Backbone interact. energy: 1.003
local terms energy: -53.025007
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -8.975
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -7.386
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: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -85.784201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.784201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.784201 (E_RNA)
where:
Base-Base interactions energy: -34.262
where: short stacking energy: -25.668
Base-Backbone interact. energy: 0.571
local terms energy: -52.093254
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -0.844
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: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -211.400889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.400889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.400889 (E_RNA)
where:
Base-Base interactions energy: -133.470
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.003
local terms energy: -77.927561
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -209.302606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.302606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.302606 (E_RNA)
where:
Base-Base interactions energy: -139.207
where: short stacking energy: -61.251
Base-Backbone interact. energy: -0.031
local terms energy: -70.065167
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -3.436
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -190.309505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.309505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.309505 (E_RNA)
where:
Base-Base interactions energy: -115.297
where: short stacking energy: -55.395
Base-Backbone interact. energy: -0.348
local terms energy: -74.664661
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -189.137380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.137380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.137380 (E_RNA)
where:
Base-Base interactions energy: -118.963
where: short stacking energy: -66.032
Base-Backbone interact. energy: 0.247
local terms energy: -70.421410
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -18.973
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: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -188.424806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.424806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.424806 (E_RNA)
where:
Base-Base interactions energy: -116.140
where: short stacking energy: -55.478
Base-Backbone interact. energy: -0.019
local terms energy: -72.266286
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -15.578
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: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -174.052680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.052680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.052680 (E_RNA)
where:
Base-Base interactions energy: -120.055
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.667
local terms energy: -53.330443
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -85.116037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.116037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.116037 (E_RNA)
where:
Base-Base interactions energy: -29.652
where: short stacking energy: -29.288
Base-Backbone interact. energy: -0.218
local terms energy: -55.245928
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -133.398742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.398742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.398742 (E_RNA)
where:
Base-Base interactions energy: -77.159
where: short stacking energy: -45.574
Base-Backbone interact. energy: -0.242
local terms energy: -55.997419
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -6.615
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: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -81.799885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.799885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.799885 (E_RNA)
where:
Base-Base interactions energy: -27.657
where: short stacking energy: -25.498
Base-Backbone interact. energy: -0.110
local terms energy: -54.032903
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -1.595
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: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -79.239301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.239301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.239301 (E_RNA)
where:
Base-Base interactions energy: -32.377
where: short stacking energy: -26.842
Base-Backbone interact. energy: -0.456
local terms energy: -46.406369
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -8.654
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -212.435220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.435220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.435220 (E_RNA)
where:
Base-Base interactions energy: -133.991
where: short stacking energy: -68.379
Base-Backbone interact. energy: -0.027
local terms energy: -78.417131
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -17.609
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: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -202.619088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.619088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.619088 (E_RNA)
where:
Base-Base interactions energy: -135.539
where: short stacking energy: -60.164
Base-Backbone interact. energy: 0.472
local terms energy: -67.552246
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -15.112
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: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -204.078155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.078155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.078155 (E_RNA)
where:
Base-Base interactions energy: -128.318
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.103
local terms energy: -75.657364
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -179.395693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.395693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.395693 (E_RNA)
where:
Base-Base interactions energy: -120.923
where: short stacking energy: -50.060
Base-Backbone interact. energy: -0.104
local terms energy: -58.368241
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -192.841129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.841129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.841129 (E_RNA)
where:
Base-Base interactions energy: -127.551
where: short stacking energy: -56.207
Base-Backbone interact. energy: -0.026
local terms energy: -65.264780
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -168.282240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.282240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.282240 (E_RNA)
where:
Base-Base interactions energy: -105.165
where: short stacking energy: -46.592
Base-Backbone interact. energy: -0.895
local terms energy: -62.222823
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -87.609917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.609917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.609917 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -27.588
Base-Backbone interact. energy: 0.993
local terms energy: -53.733566
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -151.718537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.718537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.718537 (E_RNA)
where:
Base-Base interactions energy: -91.563
where: short stacking energy: -43.584
Base-Backbone interact. energy: -0.631
local terms energy: -59.524753
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -82.904802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.904802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.904802 (E_RNA)
where:
Base-Base interactions energy: -30.210
where: short stacking energy: -28.700
Base-Backbone interact. energy: -0.115
local terms energy: -52.579817
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -8.240
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -5.145
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: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -74.697721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.697721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.697721 (E_RNA)
where:
Base-Base interactions energy: -27.514
where: short stacking energy: -27.000
Base-Backbone interact. energy: 0.014
local terms energy: -47.196825
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: 4.481
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: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -198.732286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.732286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.732286 (E_RNA)
where:
Base-Base interactions energy: -132.384
where: short stacking energy: -58.613
Base-Backbone interact. energy: 0.024
local terms energy: -66.372034
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -210.779979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.779979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.779979 (E_RNA)
where:
Base-Base interactions energy: -136.722
where: short stacking energy: -59.756
Base-Backbone interact. energy: -0.200
local terms energy: -73.857594
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.917
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: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -200.568510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.568510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.568510 (E_RNA)
where:
Base-Base interactions energy: -126.608
where: short stacking energy: -62.016
Base-Backbone interact. energy: -0.012
local terms energy: -73.948182
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -13.851
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: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -190.806881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.806881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.806881 (E_RNA)
where:
Base-Base interactions energy: -114.386
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.075
local terms energy: -76.345657
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -196.818786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.818786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.818786 (E_RNA)
where:
Base-Base interactions energy: -125.045
where: short stacking energy: -58.615
Base-Backbone interact. energy: -0.037
local terms energy: -71.736782
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -7.741
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: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -183.576727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.576727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.576727 (E_RNA)
where:
Base-Base interactions energy: -115.904
where: short stacking energy: -50.887
Base-Backbone interact. energy: -0.518
local terms energy: -67.155392
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -159.543983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.543983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.543983 (E_RNA)
where:
Base-Base interactions energy: -105.180
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.177
local terms energy: -54.187205
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -89.358086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.358086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.358086 (E_RNA)
where:
Base-Base interactions energy: -31.632
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.007
local terms energy: -57.718653
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -82.499185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.499185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.499185 (E_RNA)
where:
Base-Base interactions energy: -35.431
where: short stacking energy: -26.476
Base-Backbone interact. energy: -0.105
local terms energy: -46.963249
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -4.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -77.599376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.599376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.599376 (E_RNA)
where:
Base-Base interactions energy: -27.284
where: short stacking energy: -26.585
Base-Backbone interact. energy: -0.016
local terms energy: -50.299865
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -215.341366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.341366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.341366 (E_RNA)
where:
Base-Base interactions energy: -138.049
where: short stacking energy: -67.752
Base-Backbone interact. energy: -0.036
local terms energy: -77.255999
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.788
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: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -209.352886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.352886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.352886 (E_RNA)
where:
Base-Base interactions energy: -142.771
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.170
local terms energy: -66.411872
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -198.018405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.018405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.018405 (E_RNA)
where:
Base-Base interactions energy: -127.652
where: short stacking energy: -57.821
Base-Backbone interact. energy: -0.434
local terms energy: -69.931977
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -187.087465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.087465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.087465 (E_RNA)
where:
Base-Base interactions energy: -121.538
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.008
local terms energy: -65.541650
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -11.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -199.330076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.330076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.330076 (E_RNA)
where:
Base-Base interactions energy: -128.785
where: short stacking energy: -62.530
Base-Backbone interact. energy: -0.016
local terms energy: -70.528967
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -10.847
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: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -143.503967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.503967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.503967 (E_RNA)
where:
Base-Base interactions energy: -89.701
where: short stacking energy: -45.491
Base-Backbone interact. energy: -0.066
local terms energy: -53.737037
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -182.421277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.421277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.421277 (E_RNA)
where:
Base-Base interactions energy: -121.885
where: short stacking energy: -47.589
Base-Backbone interact. energy: -0.308
local terms energy: -60.228134
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -89.881062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.881062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.881062 (E_RNA)
where:
Base-Base interactions energy: -41.894
where: short stacking energy: -41.894
Base-Backbone interact. energy: -0.114
local terms energy: -47.873568
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -4.027
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: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -77.877923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.877923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.877923 (E_RNA)
where:
Base-Base interactions energy: -26.584
where: short stacking energy: -23.859
Base-Backbone interact. energy: -0.262
local terms energy: -51.032034
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -4.100
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: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -75.020197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.020197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.020197 (E_RNA)
where:
Base-Base interactions energy: -29.788
where: short stacking energy: -29.115
Base-Backbone interact. energy: -0.198
local terms energy: -45.034212
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: 1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -220.251260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.251260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.251260 (E_RNA)
where:
Base-Base interactions energy: -141.136
where: short stacking energy: -69.892
Base-Backbone interact. energy: -0.081
local terms energy: -79.034747
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -23.219
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: 2, replica: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -196.820704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.820704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.820704 (E_RNA)
where:
Base-Base interactions energy: -120.567
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.868
local terms energy: -75.385526
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -199.674377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.674377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.674377 (E_RNA)
where:
Base-Base interactions energy: -124.768
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.003
local terms energy: -74.903114
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -195.757494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.757494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.757494 (E_RNA)
where:
Base-Base interactions energy: -122.819
where: short stacking energy: -52.992
Base-Backbone interact. energy: -0.170
local terms energy: -72.768143
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -189.837823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.837823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.837823 (E_RNA)
where:
Base-Base interactions energy: -117.446
where: short stacking energy: -60.574
Base-Backbone interact. energy: -0.013
local terms energy: -72.378373
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -16.580
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: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -167.464234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.464234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.464234 (E_RNA)
where:
Base-Base interactions energy: -106.224
where: short stacking energy: -46.274
Base-Backbone interact. energy: -0.023
local terms energy: -61.216619
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -154.791339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.791339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.791339 (E_RNA)
where:
Base-Base interactions energy: -100.267
where: short stacking energy: -43.856
Base-Backbone interact. energy: 0.479
local terms energy: -55.003400
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -11.318
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: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -84.761637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.761637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.761637 (E_RNA)
where:
Base-Base interactions energy: -29.030
where: short stacking energy: -26.610
Base-Backbone interact. energy: -0.112
local terms energy: -55.619605
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -1.624
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: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -87.204509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.204509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.204509 (E_RNA)
where:
Base-Base interactions energy: -35.969
where: short stacking energy: -31.871
Base-Backbone interact. energy: -0.152
local terms energy: -51.083189
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -79.240499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.240499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.240499 (E_RNA)
where:
Base-Base interactions energy: -26.677
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.117
local terms energy: -52.447159
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -212.346665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.346665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.346665 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -74.607
Base-Backbone interact. energy: 0.399
local terms energy: -72.910960
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -16.135
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: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -201.290020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.290020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.290020 (E_RNA)
where:
Base-Base interactions energy: -128.921
where: short stacking energy: -68.045
Base-Backbone interact. energy: -0.094
local terms energy: -72.274142
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -198.999726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.999726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.999726 (E_RNA)
where:
Base-Base interactions energy: -127.229
where: short stacking energy: -62.592
Base-Backbone interact. energy: -0.074
local terms energy: -71.697252
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -15.574
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: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -199.231923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.231923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.231923 (E_RNA)
where:
Base-Base interactions energy: -132.373
where: short stacking energy: -62.501
Base-Backbone interact. energy: -0.751
local terms energy: -66.107747
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -7.686
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: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -179.528119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.528119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.528119 (E_RNA)
where:
Base-Base interactions energy: -111.402
where: short stacking energy: -47.571
Base-Backbone interact. energy: -0.154
local terms energy: -67.972829
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -178.458179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.458179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.458179 (E_RNA)
where:
Base-Base interactions energy: -106.034
where: short stacking energy: -54.247
Base-Backbone interact. energy: -1.080
local terms energy: -71.344059
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -152.200936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.200936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.200936 (E_RNA)
where:
Base-Base interactions energy: -97.510
where: short stacking energy: -36.606
Base-Backbone interact. energy: -0.076
local terms energy: -54.614610
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -91.392162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.392162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.392162 (E_RNA)
where:
Base-Base interactions energy: -33.253
where: short stacking energy: -33.253
Base-Backbone interact. energy: -0.141
local terms energy: -57.998277
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -5.596
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: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -81.692258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.692258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.692258 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.122
local terms energy: -47.733006
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -89.179790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.179790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.179790 (E_RNA)
where:
Base-Base interactions energy: -34.502
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.286
local terms energy: -54.392133
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -211.251040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.251040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.251040 (E_RNA)
where:
Base-Base interactions energy: -134.768
where: short stacking energy: -63.418
Base-Backbone interact. energy: -0.066
local terms energy: -76.417463
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -201.908511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.908511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.908511 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.171
local terms energy: -68.468052
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -20.551
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: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -210.431227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.431227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.431227 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -73.277
Base-Backbone interact. energy: -0.429
local terms energy: -75.816882
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -21.199
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: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -196.890986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.890986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.890986 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.037
local terms energy: -64.163541
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -181.285260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.285260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.285260 (E_RNA)
where:
Base-Base interactions energy: -115.458
where: short stacking energy: -59.949
Base-Backbone interact. energy: 4.203
local terms energy: -70.030316
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -16.200
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: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -170.884196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.884196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.884196 (E_RNA)
where:
Base-Base interactions energy: -114.295
where: short stacking energy: -52.960
Base-Backbone interact. energy: -0.138
local terms energy: -56.451162
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -11.228
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: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -151.860567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.860567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.860567 (E_RNA)
where:
Base-Base interactions energy: -88.291
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.202
local terms energy: -63.366797
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -11.279
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: 350
Temperature: 1.250000
Total energy: -85.413075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.413075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.413075 (E_RNA)
where:
Base-Base interactions energy: -25.304
where: short stacking energy: -25.304
Base-Backbone interact. energy: -0.248
local terms energy: -59.861426
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -79.403149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.403149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.403149 (E_RNA)
where:
Base-Base interactions energy: -37.040
where: short stacking energy: -25.966
Base-Backbone interact. energy: -0.793
local terms energy: -41.569932
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -7.327
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -77.205209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.205209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.205209 (E_RNA)
where:
Base-Base interactions energy: -26.366
where: short stacking energy: -24.038
Base-Backbone interact. energy: -0.307
local terms energy: -50.531747
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: 0.309
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: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -208.253759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.253759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.253759 (E_RNA)
where:
Base-Base interactions energy: -127.436
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.622
local terms energy: -80.195737
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -210.566091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.566091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.566091 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -76.467
Base-Backbone interact. energy: -0.496
local terms energy: -73.849007
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -19.479
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: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -202.503659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.503659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.503659 (E_RNA)
where:
Base-Base interactions energy: -129.508
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.098
local terms energy: -72.898156
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -182.936892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.936892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.936892 (E_RNA)
where:
Base-Base interactions energy: -117.873
where: short stacking energy: -51.844
Base-Backbone interact. energy: -1.007
local terms energy: -64.056534
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -12.061
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: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -191.204606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.204606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.204606 (E_RNA)
where:
Base-Base interactions energy: -119.366
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.191
local terms energy: -71.647861
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -175.220405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.220405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.220405 (E_RNA)
where:
Base-Base interactions energy: -118.430
where: short stacking energy: -56.054
Base-Backbone interact. energy: -0.129
local terms energy: -56.661483
where:
bonds (distance) C4'-P energy: -5.881
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -14.246
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: 351
Temperature: 1.200000
Total energy: -171.851154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.851154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.851154 (E_RNA)
where:
Base-Base interactions energy: -112.994
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.654
local terms energy: -58.203800
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -4.950
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -96.046625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.046625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.046625 (E_RNA)
where:
Base-Base interactions energy: -49.021
where: short stacking energy: -20.892
Base-Backbone interact. energy: -0.772
local terms energy: -46.253173
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -84.682849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.682849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.682849 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -25.609
Base-Backbone interact. energy: -0.286
local terms energy: -55.020504
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -76.193232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.193232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.193232 (E_RNA)
where:
Base-Base interactions energy: -31.022
where: short stacking energy: -31.122
Base-Backbone interact. energy: -0.108
local terms energy: -45.062852
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -1.839
tors. eta vs tors. theta energy: -5.789
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: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -208.815124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.815124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.815124 (E_RNA)
where:
Base-Base interactions energy: -134.270
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.110
local terms energy: -74.434563
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -205.983997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.983997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.983997 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -58.616
Base-Backbone interact. energy: -0.002
local terms energy: -73.261114
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -8.617
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: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -195.254430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.254430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.254430 (E_RNA)
where:
Base-Base interactions energy: -122.531
where: short stacking energy: -55.994
Base-Backbone interact. energy: -0.171
local terms energy: -72.552012
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -197.812319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.812319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.812319 (E_RNA)
where:
Base-Base interactions energy: -131.665
where: short stacking energy: -65.261
Base-Backbone interact. energy: -0.545
local terms energy: -65.601571
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -17.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -196.506969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.506969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.506969 (E_RNA)
where:
Base-Base interactions energy: -123.826
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.807
local terms energy: -71.873389
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -199.446095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.446095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.446095 (E_RNA)
where:
Base-Base interactions energy: -132.909
where: short stacking energy: -71.741
Base-Backbone interact. energy: 0.052
local terms energy: -66.588867
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -157.418490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.418490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.418490 (E_RNA)
where:
Base-Base interactions energy: -103.712
where: short stacking energy: -45.895
Base-Backbone interact. energy: -0.496
local terms energy: -53.210827
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -11.177
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: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -80.092466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.092466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.092466 (E_RNA)
where:
Base-Base interactions energy: -27.225
where: short stacking energy: -27.225
Base-Backbone interact. energy: -0.706
local terms energy: -52.161360
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -4.121
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: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -83.739803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.739803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.739803 (E_RNA)
where:
Base-Base interactions energy: -28.652
where: short stacking energy: -31.163
Base-Backbone interact. energy: -0.191
local terms energy: -54.896617
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -72.731720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.731720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.731720 (E_RNA)
where:
Base-Base interactions energy: -24.158
where: short stacking energy: -23.037
Base-Backbone interact. energy: -0.364
local terms energy: -48.210243
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -216.072366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.072366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.072366 (E_RNA)
where:
Base-Base interactions energy: -134.593
where: short stacking energy: -72.857
Base-Backbone interact. energy: -0.429
local terms energy: -81.050930
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -203.595697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.595697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.595697 (E_RNA)
where:
Base-Base interactions energy: -131.204
where: short stacking energy: -50.175
Base-Backbone interact. energy: -0.217
local terms energy: -72.174297
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -19.057
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -204.263760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.263760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.263760 (E_RNA)
where:
Base-Base interactions energy: -132.158
where: short stacking energy: -63.375
Base-Backbone interact. energy: -0.156
local terms energy: -71.950139
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -17.821
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: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -196.787006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.787006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.787006 (E_RNA)
where:
Base-Base interactions energy: -120.159
where: short stacking energy: -53.051
Base-Backbone interact. energy: -0.530
local terms energy: -76.097390
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -190.676633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.676633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.676633 (E_RNA)
where:
Base-Base interactions energy: -118.642
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.005
local terms energy: -72.030041
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -171.562553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.562553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.562553 (E_RNA)
where:
Base-Base interactions energy: -108.477
where: short stacking energy: -44.810
Base-Backbone interact. energy: -0.048
local terms energy: -63.037861
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -152.660782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.660782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.660782 (E_RNA)
where:
Base-Base interactions energy: -100.820
where: short stacking energy: -46.530
Base-Backbone interact. energy: -0.724
local terms energy: -51.116693
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -90.215943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.215943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.215943 (E_RNA)
where:
Base-Base interactions energy: -35.760
where: short stacking energy: -35.760
Base-Backbone interact. energy: -0.021
local terms energy: -54.434901
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -80.362151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.362151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.362151 (E_RNA)
where:
Base-Base interactions energy: -33.053
where: short stacking energy: -28.278
Base-Backbone interact. energy: -0.193
local terms energy: -47.115524
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -1.717
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: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -70.824858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.824858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.824858 (E_RNA)
where:
Base-Base interactions energy: -20.515
where: short stacking energy: -15.312
Base-Backbone interact. energy: -1.022
local terms energy: -49.287678
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -2.132
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: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -218.577947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.577947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.577947 (E_RNA)
where:
Base-Base interactions energy: -143.848
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.149
local terms energy: -74.581034
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -17.814
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: 354
Temperature: 0.950000
Total energy: -215.842519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.842519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.842519 (E_RNA)
where:
Base-Base interactions energy: -140.672
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.842
local terms energy: -74.327622
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -20.057
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: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -201.583921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.583921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.583921 (E_RNA)
where:
Base-Base interactions energy: -131.866
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.576
local terms energy: -69.141525
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -19.027
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: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -200.241889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.241889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.241889 (E_RNA)
where:
Base-Base interactions energy: -129.962
where: short stacking energy: -60.344
Base-Backbone interact. energy: -0.151
local terms energy: -70.128854
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -188.849508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.849508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.849508 (E_RNA)
where:
Base-Base interactions energy: -120.796
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.694
local terms energy: -67.359615
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -152.859476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.859476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.859476 (E_RNA)
where:
Base-Base interactions energy: -101.212
where: short stacking energy: -44.965
Base-Backbone interact. energy: 2.117
local terms energy: -53.764644
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -167.092841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.092841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.092841 (E_RNA)
where:
Base-Base interactions energy: -107.178
where: short stacking energy: -46.340
Base-Backbone interact. energy: -0.550
local terms energy: -59.364911
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -89.285131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.285131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.285131 (E_RNA)
where:
Base-Base interactions energy: -38.724
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.080
local terms energy: -50.481732
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -80.277663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.277663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.277663 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -32.036
Base-Backbone interact. energy: 0.595
local terms energy: -48.072798
where:
bonds (distance) C4'-P energy: -7.413
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -3.326
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: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -81.625139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.625139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.625139 (E_RNA)
where:
Base-Base interactions energy: -30.226
where: short stacking energy: -30.226
Base-Backbone interact. energy: 4.889
local terms energy: -56.288151
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -208.228767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.228767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.228767 (E_RNA)
where:
Base-Base interactions energy: -146.559
where: short stacking energy: -58.668
Base-Backbone interact. energy: -0.108
local terms energy: -61.561353
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -17.236
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: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -203.584757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584757 (E_RNA)
where:
Base-Base interactions energy: -125.478
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.057
local terms energy: -78.050209
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -206.968191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.968191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.968191 (E_RNA)
where:
Base-Base interactions energy: -130.513
where: short stacking energy: -64.934
Base-Backbone interact. energy: -0.457
local terms energy: -75.998443
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -198.456568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.456568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.456568 (E_RNA)
where:
Base-Base interactions energy: -128.422
where: short stacking energy: -60.062
Base-Backbone interact. energy: 0.931
local terms energy: -70.965866
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -4.708
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: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -196.177781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.177781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.177781 (E_RNA)
where:
Base-Base interactions energy: -120.578
where: short stacking energy: -56.460
Base-Backbone interact. energy: -0.002
local terms energy: -75.597137
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -176.668866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.668866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.668866 (E_RNA)
where:
Base-Base interactions energy: -108.890
where: short stacking energy: -54.505
Base-Backbone interact. energy: 3.204
local terms energy: -70.983526
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -167.845124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.845124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.845124 (E_RNA)
where:
Base-Base interactions energy: -110.040
where: short stacking energy: -57.566
Base-Backbone interact. energy: -0.277
local terms energy: -57.527229
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -78.924112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.924112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.924112 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -18.666
Base-Backbone interact. energy: 0.849
local terms energy: -45.317425
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: 1.555
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: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -87.792578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.792578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.792578 (E_RNA)
where:
Base-Base interactions energy: -35.366
where: short stacking energy: -35.366
Base-Backbone interact. energy: -0.332
local terms energy: -52.093942
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -76.368124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.368124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.368124 (E_RNA)
where:
Base-Base interactions energy: -32.161
where: short stacking energy: -32.161
Base-Backbone interact. energy: -0.166
local terms energy: -44.040757
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -2.898
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: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -212.547412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.547412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.547412 (E_RNA)
where:
Base-Base interactions energy: -131.349
where: short stacking energy: -64.970
Base-Backbone interact. energy: -0.410
local terms energy: -80.788655
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -20.255
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: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -196.800058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.800058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.800058 (E_RNA)
where:
Base-Base interactions energy: -122.527
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.209
local terms energy: -74.063965
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -13.499
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: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -210.951484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.951484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.951484 (E_RNA)
where:
Base-Base interactions energy: -138.562
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.195
local terms energy: -72.194100
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -205.522454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.522454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.522454 (E_RNA)
where:
Base-Base interactions energy: -135.826
where: short stacking energy: -73.804
Base-Backbone interact. energy: -0.284
local terms energy: -69.412438
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -20.938
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: 356
Temperature: 1.100000
Total energy: -178.445783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.445783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.445783 (E_RNA)
where:
Base-Base interactions energy: -112.067
where: short stacking energy: -60.968
Base-Backbone interact. energy: -0.012
local terms energy: -66.367714
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -16.787
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: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -185.185073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.185073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.185073 (E_RNA)
where:
Base-Base interactions energy: -122.033
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.026
local terms energy: -63.125408
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -15.555
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: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -178.030529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.030529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.030529 (E_RNA)
where:
Base-Base interactions energy: -121.592
where: short stacking energy: -58.220
Base-Backbone interact. energy: -0.096
local terms energy: -56.342261
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -7.344
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: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -84.014436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.014436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.014436 (E_RNA)
where:
Base-Base interactions energy: -31.839
where: short stacking energy: -31.839
Base-Backbone interact. energy: -0.158
local terms energy: -52.017616
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -5.733
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: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -85.575003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.575003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.575003 (E_RNA)
where:
Base-Base interactions energy: -47.163
where: short stacking energy: -34.994
Base-Backbone interact. energy: -0.026
local terms energy: -38.386395
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -76.240126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.240126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.240126 (E_RNA)
where:
Base-Base interactions energy: -30.552
where: short stacking energy: -25.598
Base-Backbone interact. energy: 1.057
local terms energy: -46.745497
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -8.577
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -3.916
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: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -210.324745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.324745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.324745 (E_RNA)
where:
Base-Base interactions energy: -131.940
where: short stacking energy: -69.130
Base-Backbone interact. energy: 0.262
local terms energy: -78.646783
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -19.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -199.528823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.528823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.528823 (E_RNA)
where:
Base-Base interactions energy: -127.277
where: short stacking energy: -53.250
Base-Backbone interact. energy: -0.071
local terms energy: -72.180761
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -204.389166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.389166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.389166 (E_RNA)
where:
Base-Base interactions energy: -129.469
where: short stacking energy: -60.941
Base-Backbone interact. energy: -0.857
local terms energy: -74.062920
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -196.220781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.220781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.220781 (E_RNA)
where:
Base-Base interactions energy: -130.066
where: short stacking energy: -67.058
Base-Backbone interact. energy: 0.359
local terms energy: -66.513348
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -6.000
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: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -159.516187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.516187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.516187 (E_RNA)
where:
Base-Base interactions energy: -98.879
where: short stacking energy: -40.735
Base-Backbone interact. energy: -0.164
local terms energy: -60.473324
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -7.758
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: 357
Temperature: 1.150000
Total energy: -181.126750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.126750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.126750 (E_RNA)
where:
Base-Base interactions energy: -120.106
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.443
local terms energy: -60.577306
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -17.286
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: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -167.753418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.753418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.753418 (E_RNA)
where:
Base-Base interactions energy: -108.796
where: short stacking energy: -56.200
Base-Backbone interact. energy: -1.223
local terms energy: -57.734854
where:
bonds (distance) C4'-P energy: -7.499
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -97.206754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.206754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.206754 (E_RNA)
where:
Base-Base interactions energy: -41.416
where: short stacking energy: -40.033
Base-Backbone interact. energy: -1.325
local terms energy: -54.465561
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -91.726753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.726753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.726753 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -37.288
Base-Backbone interact. energy: -0.022
local terms energy: -54.057975
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: -8.735
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: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -78.363116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.363116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.363116 (E_RNA)
where:
Base-Base interactions energy: -24.711
where: short stacking energy: -19.961
Base-Backbone interact. energy: -1.147
local terms energy: -52.505289
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -4.389
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: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -214.502095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.502095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.502095 (E_RNA)
where:
Base-Base interactions energy: -133.715
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.385
local terms energy: -80.401426
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -204.706621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.706621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.706621 (E_RNA)
where:
Base-Base interactions energy: -135.431
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.003
local terms energy: -69.272806
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -22.315
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: 358
Temperature: 1.000000
Total energy: -209.118525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.118525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.118525 (E_RNA)
where:
Base-Base interactions energy: -133.382
where: short stacking energy: -67.562
Base-Backbone interact. energy: -0.863
local terms energy: -74.873322
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -17.874
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: 358
Temperature: 1.050000
Total energy: -191.800231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.800231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.800231 (E_RNA)
where:
Base-Base interactions energy: -125.768
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.066
local terms energy: -65.965835
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -7.424
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: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -177.203805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.203805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.203805 (E_RNA)
where:
Base-Base interactions energy: -111.022
where: short stacking energy: -47.020
Base-Backbone interact. energy: -0.026
local terms energy: -66.155758
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -175.883337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.883337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.883337 (E_RNA)
where:
Base-Base interactions energy: -106.331
where: short stacking energy: -59.710
Base-Backbone interact. energy: -0.239
local terms energy: -69.313325
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -13.821
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: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -189.919345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.919345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.919345 (E_RNA)
where:
Base-Base interactions energy: -119.070
where: short stacking energy: -55.476
Base-Backbone interact. energy: -0.351
local terms energy: -70.498024
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -18.154
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: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -90.497001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.497001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.497001 (E_RNA)
where:
Base-Base interactions energy: -42.333
where: short stacking energy: -19.949
Base-Backbone interact. energy: -0.109
local terms energy: -48.054625
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -4.513
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -4.754
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: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -94.502443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.502443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.502443 (E_RNA)
where:
Base-Base interactions energy: -49.284
where: short stacking energy: -25.933
Base-Backbone interact. energy: -0.027
local terms energy: -45.191624
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -75.559579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.559579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.559579 (E_RNA)
where:
Base-Base interactions energy: -21.723
where: short stacking energy: -21.723
Base-Backbone interact. energy: 0.382
local terms energy: -54.219195
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -207.557469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.557469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.557469 (E_RNA)
where:
Base-Base interactions energy: -129.451
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.000
local terms energy: -78.106399
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -214.561122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.561122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.561122 (E_RNA)
where:
Base-Base interactions energy: -134.259
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.116
local terms energy: -80.186265
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -193.445738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.445738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.445738 (E_RNA)
where:
Base-Base interactions energy: -119.463
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.065
local terms energy: -73.917924
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -201.348279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.348279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.348279 (E_RNA)
where:
Base-Base interactions energy: -131.562
where: short stacking energy: -63.472
Base-Backbone interact. energy: -0.009
local terms energy: -69.777213
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -8.273
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: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -172.599596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.599596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.599596 (E_RNA)
where:
Base-Base interactions energy: -111.418
where: short stacking energy: -48.930
Base-Backbone interact. energy: -0.166
local terms energy: -61.015350
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -187.297391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.297391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.297391 (E_RNA)
where:
Base-Base interactions energy: -134.202
where: short stacking energy: -48.155
Base-Backbone interact. energy: 3.489
local terms energy: -56.583995
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -9.214
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -165.429257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.429257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.429257 (E_RNA)
where:
Base-Base interactions energy: -102.949
where: short stacking energy: -38.517
Base-Backbone interact. energy: -0.001
local terms energy: -62.478340
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -12.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -94.252764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.252764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.252764 (E_RNA)
where:
Base-Base interactions energy: -43.894
where: short stacking energy: -35.409
Base-Backbone interact. energy: 0.366
local terms energy: -50.724501
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -2.962
tors. eta vs tors. theta energy: -6.979
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: 5
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -79.721358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.721358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.721358 (E_RNA)
where:
Base-Base interactions energy: -25.619
where: short stacking energy: -25.619
Base-Backbone interact. energy: -0.234
local terms energy: -53.868803
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -69.681545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.681545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.681545 (E_RNA)
where:
Base-Base interactions energy: -20.662
where: short stacking energy: -20.662
Base-Backbone interact. energy: -0.141
local terms energy: -48.878283
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -2.072
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: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -214.496094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.496094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.496094 (E_RNA)
where:
Base-Base interactions energy: -138.433
where: short stacking energy: -72.794
Base-Backbone interact. energy: 0.028
local terms energy: -76.091695
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -210.243557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.243557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.243557 (E_RNA)
where:
Base-Base interactions energy: -135.044
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.160
local terms energy: -75.039822
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -22.411
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -204.576128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.576128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.576128 (E_RNA)
where:
Base-Base interactions energy: -126.325
where: short stacking energy: -63.378
Base-Backbone interact. energy: -0.394
local terms energy: -77.857651
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -20.026
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: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -186.406157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.406157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.406157 (E_RNA)
where:
Base-Base interactions energy: -119.278
where: short stacking energy: -47.210
Base-Backbone interact. energy: -0.287
local terms energy: -66.841532
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -194.158446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158446 (E_RNA)
where:
Base-Base interactions energy: -127.948
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.004
local terms energy: -66.206751
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -17.169
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: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -177.672908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.672908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.672908 (E_RNA)
where:
Base-Base interactions energy: -112.409
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.002
local terms energy: -65.262174
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -178.031448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.031448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.031448 (E_RNA)
where:
Base-Base interactions energy: -110.980
where: short stacking energy: -51.508
Base-Backbone interact. energy: -0.001
local terms energy: -67.049808
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.810
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: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -92.996578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.996578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.996578 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -35.412
Base-Backbone interact. energy: -0.025
local terms energy: -57.504178
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -81.583222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.583222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.583222 (E_RNA)
where:
Base-Base interactions energy: -27.952
where: short stacking energy: -23.291
Base-Backbone interact. energy: -0.040
local terms energy: -53.590514
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -81.913104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.913104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.913104 (E_RNA)
where:
Base-Base interactions energy: -30.197
where: short stacking energy: -30.197
Base-Backbone interact. energy: -0.255
local terms energy: -51.460501
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -216.800427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.800427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.800427 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -75.327
Base-Backbone interact. energy: -0.004
local terms energy: -80.283592
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -205.559827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.559827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.559827 (E_RNA)
where:
Base-Base interactions energy: -129.612
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.280
local terms energy: -75.667755
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -16.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -199.250932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.250932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.250932 (E_RNA)
where:
Base-Base interactions energy: -123.835
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.644
local terms energy: -74.771972
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -14.316
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: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -198.633671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.633671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.633671 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.185
local terms energy: -73.336822
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -185.868665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.868665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.868665 (E_RNA)
where:
Base-Base interactions energy: -117.320
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.010
local terms energy: -68.538149
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -20.079
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: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -169.259054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.259054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.259054 (E_RNA)
where:
Base-Base interactions energy: -105.018
where: short stacking energy: -55.785
Base-Backbone interact. energy: -0.017
local terms energy: -64.223490
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -12.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -178.546709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.546709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.546709 (E_RNA)
where:
Base-Base interactions energy: -113.695
where: short stacking energy: -56.887
Base-Backbone interact. energy: -0.007
local terms energy: -64.845312
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -11.303
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: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -86.720846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.720846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.720846 (E_RNA)
where:
Base-Base interactions energy: -35.949
where: short stacking energy: -21.086
Base-Backbone interact. energy: -0.079
local terms energy: -50.692751
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -81.664657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.664657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.664657 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -27.516
Base-Backbone interact. energy: -0.160
local terms energy: -50.839880
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -71.811438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.811438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.811438 (E_RNA)
where:
Base-Base interactions energy: -25.173
where: short stacking energy: -20.045
Base-Backbone interact. energy: 0.056
local terms energy: -46.694424
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -222.706470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.706470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.706470 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -74.395
Base-Backbone interact. energy: 0.909
local terms energy: -81.546269
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -207.498278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.498278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.498278 (E_RNA)
where:
Base-Base interactions energy: -132.199
where: short stacking energy: -60.234
Base-Backbone interact. energy: -0.138
local terms energy: -75.161509
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -200.565045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.565045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.565045 (E_RNA)
where:
Base-Base interactions energy: -129.741
where: short stacking energy: -66.419
Base-Backbone interact. energy: -0.266
local terms energy: -70.557601
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -203.130991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.130991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.130991 (E_RNA)
where:
Base-Base interactions energy: -132.662
where: short stacking energy: -63.369
Base-Backbone interact. energy: -0.781
local terms energy: -69.687398
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -20.940
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: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -175.314901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.314901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.314901 (E_RNA)
where:
Base-Base interactions energy: -101.446
where: short stacking energy: -60.093
Base-Backbone interact. energy: -0.001
local terms energy: -73.867854
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -183.877254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.877254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.877254 (E_RNA)
where:
Base-Base interactions energy: -124.412
where: short stacking energy: -56.821
Base-Backbone interact. energy: 0.375
local terms energy: -59.840417
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -14.662
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: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -155.425761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.425761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.425761 (E_RNA)
where:
Base-Base interactions energy: -97.730
where: short stacking energy: -40.514
Base-Backbone interact. energy: -1.595
local terms energy: -56.100495
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -92.940422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.940422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.940422 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -32.414
Base-Backbone interact. energy: -0.032
local terms energy: -58.334450
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -79.285137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.285137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.285137 (E_RNA)
where:
Base-Base interactions energy: -26.723
where: short stacking energy: -26.723
Base-Backbone interact. energy: -0.630
local terms energy: -51.932820
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -76.817147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.817147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.817147 (E_RNA)
where:
Base-Base interactions energy: -23.017
where: short stacking energy: -23.017
Base-Backbone interact. energy: -0.204
local terms energy: -53.595698
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -4.544
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: 6
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -224.676710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.676710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.676710 (E_RNA)
where:
Base-Base interactions energy: -143.559
where: short stacking energy: -77.109
Base-Backbone interact. energy: -0.008
local terms energy: -81.109394
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -209.173406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.173406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.173406 (E_RNA)
where:
Base-Base interactions energy: -140.098
where: short stacking energy: -55.781
Base-Backbone interact. energy: -0.336
local terms energy: -68.739207
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -14.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -206.328773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.328773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.328773 (E_RNA)
where:
Base-Base interactions energy: -133.486
where: short stacking energy: -64.692
Base-Backbone interact. energy: -0.165
local terms energy: -72.677744
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -177.625743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.625743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.625743 (E_RNA)
where:
Base-Base interactions energy: -104.381
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.014
local terms energy: -73.231091
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -181.070156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.070156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.070156 (E_RNA)
where:
Base-Base interactions energy: -122.893
where: short stacking energy: -48.021
Base-Backbone interact. energy: -0.009
local terms energy: -58.168114
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -12.027
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: 363
Temperature: 1.150000
Total energy: -178.057181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.057181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.057181 (E_RNA)
where:
Base-Base interactions energy: -122.568
where: short stacking energy: -57.087
Base-Backbone interact. energy: 0.112
local terms energy: -55.601368
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -9.057
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -176.308546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.308546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.308546 (E_RNA)
where:
Base-Base interactions energy: -108.000
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.001
local terms energy: -68.307598
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -86.675562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.675562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.675562 (E_RNA)
where:
Base-Base interactions energy: -36.085
where: short stacking energy: -27.103
Base-Backbone interact. energy: -0.561
local terms energy: -50.030309
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -6.755
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: 363
Temperature: 1.300000
Total energy: -86.197268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.197268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.197268 (E_RNA)
where:
Base-Base interactions energy: -30.271
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.013
local terms energy: -55.913030
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -5.704
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: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -73.178973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.178973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.178973 (E_RNA)
where:
Base-Base interactions energy: -23.976
where: short stacking energy: -23.976
Base-Backbone interact. energy: 0.250
local terms energy: -49.452185
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -216.509082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.509082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.509082 (E_RNA)
where:
Base-Base interactions energy: -137.817
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.071
local terms energy: -78.621030
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -208.260848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.260848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.260848 (E_RNA)
where:
Base-Base interactions energy: -135.707
where: short stacking energy: -68.225
Base-Backbone interact. energy: -0.075
local terms energy: -72.478497
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.635
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: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -201.719253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.719253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.719253 (E_RNA)
where:
Base-Base interactions energy: -131.465
where: short stacking energy: -60.503
Base-Backbone interact. energy: -0.612
local terms energy: -69.642297
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -192.137073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.137073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.137073 (E_RNA)
where:
Base-Base interactions energy: -123.705
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.021
local terms energy: -68.411004
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -184.745671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.745671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.745671 (E_RNA)
where:
Base-Base interactions energy: -116.905
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.301
local terms energy: -67.540261
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -14.481
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: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -187.089913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.089913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.089913 (E_RNA)
where:
Base-Base interactions energy: -114.108
where: short stacking energy: -52.216
Base-Backbone interact. energy: -0.005
local terms energy: -72.976256
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -162.010617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.010617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.010617 (E_RNA)
where:
Base-Base interactions energy: -92.184
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.099
local terms energy: -69.727120
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -98.629827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.629827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.629827 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -34.246
Base-Backbone interact. energy: -0.064
local terms energy: -64.319883
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -5.539
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: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -82.070648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.070648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.070648 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -23.739
Base-Backbone interact. energy: -0.514
local terms energy: -51.105429
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -84.541299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.541299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.541299 (E_RNA)
where:
Base-Base interactions energy: -39.272
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.113
local terms energy: -45.156431
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -3.181
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: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -209.207697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.207697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.207697 (E_RNA)
where:
Base-Base interactions energy: -137.757
where: short stacking energy: -54.395
Base-Backbone interact. energy: 0.093
local terms energy: -71.543882
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -204.865886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.865886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.865886 (E_RNA)
where:
Base-Base interactions energy: -134.743
where: short stacking energy: -69.351
Base-Backbone interact. energy: -0.003
local terms energy: -70.120498
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -17.332
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: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -202.250660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.250660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.250660 (E_RNA)
where:
Base-Base interactions energy: -127.683
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.020
local terms energy: -74.547738
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -189.555458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.555458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.555458 (E_RNA)
where:
Base-Base interactions energy: -122.967
where: short stacking energy: -57.546
Base-Backbone interact. energy: -0.634
local terms energy: -65.954055
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -12.368
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: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -189.395013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.395013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.395013 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.015
local terms energy: -63.375411
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -185.856865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.856865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.856865 (E_RNA)
where:
Base-Base interactions energy: -122.165
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.001
local terms energy: -63.690902
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -19.865
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: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -157.031754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.031754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.031754 (E_RNA)
where:
Base-Base interactions energy: -97.869
where: short stacking energy: -45.063
Base-Backbone interact. energy: -0.372
local terms energy: -58.790984
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -5.218
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: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -89.102816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.102816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.102816 (E_RNA)
where:
Base-Base interactions energy: -31.825
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.128
local terms energy: -57.150330
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -8.481
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: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -71.383819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.383819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.383819 (E_RNA)
where:
Base-Base interactions energy: -16.616
where: short stacking energy: -14.958
Base-Backbone interact. energy: -0.594
local terms energy: -54.173918
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -0.404
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: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -77.559601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.559601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.559601 (E_RNA)
where:
Base-Base interactions energy: -25.055
where: short stacking energy: -25.055
Base-Backbone interact. energy: -0.219
local terms energy: -52.284922
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -221.155219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.155219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.155219 (E_RNA)
where:
Base-Base interactions energy: -144.613
where: short stacking energy: -65.087
Base-Backbone interact. energy: 1.314
local terms energy: -77.856020
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -209.237204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.237204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.237204 (E_RNA)
where:
Base-Base interactions energy: -137.822
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.431
local terms energy: -70.984647
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -16.350
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: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -193.551573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.551573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.551573 (E_RNA)
where:
Base-Base interactions energy: -125.769
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.069
local terms energy: -67.713699
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -9.719
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -10.729
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: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -192.582048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.582048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.582048 (E_RNA)
where:
Base-Base interactions energy: -123.474
where: short stacking energy: -62.568
Base-Backbone interact. energy: -0.448
local terms energy: -68.660171
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -192.101807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.101807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.101807 (E_RNA)
where:
Base-Base interactions energy: -126.191
where: short stacking energy: -49.932
Base-Backbone interact. energy: 0.670
local terms energy: -66.580647
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -187.035820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.035820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.035820 (E_RNA)
where:
Base-Base interactions energy: -119.994
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.076
local terms energy: -66.965269
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -15.528
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -96.212463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.212463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.212463 (E_RNA)
where:
Base-Base interactions energy: -38.018
where: short stacking energy: -37.527
Base-Backbone interact. energy: -0.187
local terms energy: -58.007576
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -5.092
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: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -148.677989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.677989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.677989 (E_RNA)
where:
Base-Base interactions energy: -93.601
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.370
local terms energy: -54.706749
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -82.834381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.834381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.834381 (E_RNA)
where:
Base-Base interactions energy: -38.575
where: short stacking energy: -36.312
Base-Backbone interact. energy: -0.169
local terms energy: -44.090430
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -81.027011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.027011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.027011 (E_RNA)
where:
Base-Base interactions energy: -28.485
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.004
local terms energy: -52.538171
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -210.864753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.864753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.864753 (E_RNA)
where:
Base-Base interactions energy: -134.793
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.007
local terms energy: -76.065047
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -201.324470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.324470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.324470 (E_RNA)
where:
Base-Base interactions energy: -127.825
where: short stacking energy: -62.059
Base-Backbone interact. energy: -1.499
local terms energy: -72.000827
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -18.519
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: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -213.293683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.293683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.293683 (E_RNA)
where:
Base-Base interactions energy: -142.419
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.817
local terms energy: -70.058336
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -187.049159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.049159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.049159 (E_RNA)
where:
Base-Base interactions energy: -121.850
where: short stacking energy: -60.016
Base-Backbone interact. energy: 1.224
local terms energy: -66.422532
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -15.199
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: 367
Temperature: 1.100000
Total energy: -177.889997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.889997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.889997 (E_RNA)
where:
Base-Base interactions energy: -115.936
where: short stacking energy: -52.480
Base-Backbone interact. energy: -0.194
local terms energy: -61.760333
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -183.421479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.421479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.421479 (E_RNA)
where:
Base-Base interactions energy: -120.408
where: short stacking energy: -52.435
Base-Backbone interact. energy: -1.651
local terms energy: -61.362335
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -15.175
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: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -87.871546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.871546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.871546 (E_RNA)
where:
Base-Base interactions energy: -31.866
where: short stacking energy: -31.866
Base-Backbone interact. energy: -0.143
local terms energy: -55.862363
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -3.714
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: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -153.448764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.448764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.448764 (E_RNA)
where:
Base-Base interactions energy: -85.360
where: short stacking energy: -39.942
Base-Backbone interact. energy: -0.344
local terms energy: -67.745534
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -11.018
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: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -89.908426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.908426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.908426 (E_RNA)
where:
Base-Base interactions energy: -30.803
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.006
local terms energy: -59.099440
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -84.075478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.075478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.075478 (E_RNA)
where:
Base-Base interactions energy: -36.565
where: short stacking energy: -26.565
Base-Backbone interact. energy: 0.946
local terms energy: -48.456465
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -210.158086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.158086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.158086 (E_RNA)
where:
Base-Base interactions energy: -132.434
where: short stacking energy: -67.908
Base-Backbone interact. energy: -1.414
local terms energy: -76.310563
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -195.687924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.687924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.687924 (E_RNA)
where:
Base-Base interactions energy: -130.218
where: short stacking energy: -56.740
Base-Backbone interact. energy: -0.058
local terms energy: -65.412111
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -204.649266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.649266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.649266 (E_RNA)
where:
Base-Base interactions energy: -126.586
where: short stacking energy: -62.719
Base-Backbone interact. energy: -0.675
local terms energy: -77.388614
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -21.287
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: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -184.286766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.286766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.286766 (E_RNA)
where:
Base-Base interactions energy: -121.357
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.159
local terms energy: -62.771285
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -10.157
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -191.204188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.204188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.204188 (E_RNA)
where:
Base-Base interactions energy: -124.396
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.412
local terms energy: -66.396681
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -186.476066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.476066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.476066 (E_RNA)
where:
Base-Base interactions energy: -117.686
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.310
local terms energy: -68.480054
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -178.117651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.117651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.117651 (E_RNA)
where:
Base-Base interactions energy: -113.632
where: short stacking energy: -56.378
Base-Backbone interact. energy: -0.033
local terms energy: -64.453145
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -15.574
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: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -89.366897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.366897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.366897 (E_RNA)
where:
Base-Base interactions energy: -39.153
where: short stacking energy: -26.924
Base-Backbone interact. energy: -0.304
local terms energy: -49.909159
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -2.303
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: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -91.096798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.096798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.096798 (E_RNA)
where:
Base-Base interactions energy: -42.537
where: short stacking energy: -34.840
Base-Backbone interact. energy: -0.022
local terms energy: -48.537406
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -8.073
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -5.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -78.349852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.349852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.349852 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -32.416
Base-Backbone interact. energy: -0.441
local terms energy: -42.563178
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -2.473
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: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -207.060195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.060195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.060195 (E_RNA)
where:
Base-Base interactions energy: -125.369
where: short stacking energy: -68.079
Base-Backbone interact. energy: -0.005
local terms energy: -81.686021
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -200.277552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.277552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.277552 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -61.929
Base-Backbone interact. energy: -0.010
local terms energy: -72.225050
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -20.123
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: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -201.989008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.989008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.989008 (E_RNA)
where:
Base-Base interactions energy: -133.705
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.305
local terms energy: -67.979601
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -187.593950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.593950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.593950 (E_RNA)
where:
Base-Base interactions energy: -132.254
where: short stacking energy: -59.360
Base-Backbone interact. energy: -0.082
local terms energy: -55.257442
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -2.747
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: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -187.899862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.899862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.899862 (E_RNA)
where:
Base-Base interactions energy: -123.714
where: short stacking energy: -55.933
Base-Backbone interact. energy: -1.001
local terms energy: -63.185253
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -171.901970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.901970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.901970 (E_RNA)
where:
Base-Base interactions energy: -112.134
where: short stacking energy: -55.393
Base-Backbone interact. energy: 0.627
local terms energy: -60.394653
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -171.562367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.562367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.562367 (E_RNA)
where:
Base-Base interactions energy: -112.611
where: short stacking energy: -50.092
Base-Backbone interact. energy: -0.149
local terms energy: -58.802391
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -8.885
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -11.743
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: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -91.870447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.870447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.870447 (E_RNA)
where:
Base-Base interactions energy: -45.302
where: short stacking energy: -27.149
Base-Backbone interact. energy: 0.569
local terms energy: -47.137455
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: 1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -85.322050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.322050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.322050 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -27.855
Base-Backbone interact. energy: -0.334
local terms energy: -52.474249
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -78.257747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.257747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.257747 (E_RNA)
where:
Base-Base interactions energy: -39.129
where: short stacking energy: -23.188
Base-Backbone interact. energy: 0.656
local terms energy: -39.784776
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -7.694
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: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -206.862860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.862860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.862860 (E_RNA)
where:
Base-Base interactions energy: -132.821
where: short stacking energy: -68.119
Base-Backbone interact. energy: -0.001
local terms energy: -74.040341
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -195.008729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.008729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.008729 (E_RNA)
where:
Base-Base interactions energy: -122.926
where: short stacking energy: -58.383
Base-Backbone interact. energy: -0.004
local terms energy: -72.077831
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -10.121
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: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -195.195076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.195076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.195076 (E_RNA)
where:
Base-Base interactions energy: -123.206
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.102
local terms energy: -71.886706
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -15.500
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: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -191.360927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.360927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.360927 (E_RNA)
where:
Base-Base interactions energy: -128.554
where: short stacking energy: -56.892
Base-Backbone interact. energy: -0.048
local terms energy: -62.758884
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -15.061
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: 370
Temperature: 1.100000
Total energy: -164.730060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.730060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.730060 (E_RNA)
where:
Base-Base interactions energy: -101.472
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.370
local terms energy: -62.887493
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -170.098377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.098377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.098377 (E_RNA)
where:
Base-Base interactions energy: -111.277
where: short stacking energy: -46.238
Base-Backbone interact. energy: -0.219
local terms energy: -58.602787
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -14.615
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: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -172.772386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.772386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.772386 (E_RNA)
where:
Base-Base interactions energy: -103.604
where: short stacking energy: -48.893
Base-Backbone interact. energy: -0.717
local terms energy: -68.451914
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -14.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -85.400838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400838 (E_RNA)
where:
Base-Base interactions energy: -37.198
where: short stacking energy: -37.198
Base-Backbone interact. energy: -0.153
local terms energy: -48.049870
where:
bonds (distance) C4'-P energy: -4.325
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -84.075793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.075793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.075793 (E_RNA)
where:
Base-Base interactions energy: -23.172
where: short stacking energy: -21.984
Base-Backbone interact. energy: -0.250
local terms energy: -60.654298
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -81.283652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.283652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.283652 (E_RNA)
where:
Base-Base interactions energy: -31.453
where: short stacking energy: -31.453
Base-Backbone interact. energy: -0.345
local terms energy: -49.485849
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -206.454125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.454125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.454125 (E_RNA)
where:
Base-Base interactions energy: -130.900
where: short stacking energy: -56.562
Base-Backbone interact. energy: -0.346
local terms energy: -75.207644
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -199.630145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.630145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.630145 (E_RNA)
where:
Base-Base interactions energy: -127.872
where: short stacking energy: -63.207
Base-Backbone interact. energy: 0.313
local terms energy: -72.070751
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -16.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -197.038980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.038980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.038980 (E_RNA)
where:
Base-Base interactions energy: -121.752
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.027
local terms energy: -75.260159
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -18.106
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: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -186.996396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.996396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.996396 (E_RNA)
where:
Base-Base interactions energy: -118.662
where: short stacking energy: -52.616
Base-Backbone interact. energy: 1.349
local terms energy: -69.682996
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -170.379285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.379285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.379285 (E_RNA)
where:
Base-Base interactions energy: -106.235
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.433
local terms energy: -63.710534
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -12.414
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: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -191.412780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.412780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.412780 (E_RNA)
where:
Base-Base interactions energy: -127.901
where: short stacking energy: -67.070
Base-Backbone interact. energy: -0.039
local terms energy: -63.473193
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -140.169242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.169242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.169242 (E_RNA)
where:
Base-Base interactions energy: -81.544
where: short stacking energy: -46.385
Base-Backbone interact. energy: 0.119
local terms energy: -58.744066
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -86.860595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860595 (E_RNA)
where:
Base-Base interactions energy: -29.287
where: short stacking energy: -28.985
Base-Backbone interact. energy: -0.382
local terms energy: -57.191702
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -4.310
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: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -89.387104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.387104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.387104 (E_RNA)
where:
Base-Base interactions energy: -30.360
where: short stacking energy: -30.360
Base-Backbone interact. energy: -0.280
local terms energy: -58.747748
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -81.073138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073138 (E_RNA)
where:
Base-Base interactions energy: -26.638
where: short stacking energy: -26.638
Base-Backbone interact. energy: -0.039
local terms energy: -54.396089
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -2.796
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: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -198.247172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.247172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.247172 (E_RNA)
where:
Base-Base interactions energy: -124.196
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.730
local terms energy: -73.321267
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -194.089959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.089959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.089959 (E_RNA)
where:
Base-Base interactions energy: -129.332
where: short stacking energy: -65.151
Base-Backbone interact. energy: 0.180
local terms energy: -64.938580
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -191.416106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.416106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.416106 (E_RNA)
where:
Base-Base interactions energy: -121.061
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.883
local terms energy: -69.472281
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -201.198795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.198795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.198795 (E_RNA)
where:
Base-Base interactions energy: -132.917
where: short stacking energy: -72.016
Base-Backbone interact. energy: -2.391
local terms energy: -65.891506
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -19.020
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: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -196.301933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.301933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.301933 (E_RNA)
where:
Base-Base interactions energy: -129.390
where: short stacking energy: -63.638
Base-Backbone interact. energy: -0.007
local terms energy: -66.905023
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -18.053
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: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -161.206235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.206235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.206235 (E_RNA)
where:
Base-Base interactions energy: -105.879
where: short stacking energy: -52.726
Base-Backbone interact. energy: -0.612
local terms energy: -54.715397
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -86.872077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.872077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.872077 (E_RNA)
where:
Base-Base interactions energy: -36.040
where: short stacking energy: -27.362
Base-Backbone interact. energy: -0.080
local terms energy: -50.752033
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -2.512
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: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -138.387220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.387220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.387220 (E_RNA)
where:
Base-Base interactions energy: -87.759
where: short stacking energy: -36.595
Base-Backbone interact. energy: -0.129
local terms energy: -50.499945
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -6.040
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: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -81.869816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.869816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.869816 (E_RNA)
where:
Base-Base interactions energy: -33.681
where: short stacking energy: -32.088
Base-Backbone interact. energy: -1.409
local terms energy: -46.778912
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -9.073
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -3.385
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: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -79.630091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.630091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.630091 (E_RNA)
where:
Base-Base interactions energy: -31.480
where: short stacking energy: -31.645
Base-Backbone interact. energy: -0.273
local terms energy: -47.876725
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: 0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -199.457038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.457038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.457038 (E_RNA)
where:
Base-Base interactions energy: -124.276
where: short stacking energy: -59.984
Base-Backbone interact. energy: -0.299
local terms energy: -74.882416
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -17.039
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: 373
Temperature: 0.950000
Total energy: -201.459068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.459068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.459068 (E_RNA)
where:
Base-Base interactions energy: -128.440
where: short stacking energy: -54.118
Base-Backbone interact. energy: -0.322
local terms energy: -72.696473
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -191.804196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.804196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.804196 (E_RNA)
where:
Base-Base interactions energy: -122.422
where: short stacking energy: -60.671
Base-Backbone interact. energy: 0.051
local terms energy: -69.433124
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -200.996604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.996604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.996604 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -62.736
Base-Backbone interact. energy: -0.002
local terms energy: -70.894032
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -169.710397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.710397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.710397 (E_RNA)
where:
Base-Base interactions energy: -107.819
where: short stacking energy: -53.617
Base-Backbone interact. energy: -0.083
local terms energy: -61.808796
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -165.142659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.142659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.142659 (E_RNA)
where:
Base-Base interactions energy: -104.464
where: short stacking energy: -55.885
Base-Backbone interact. energy: -0.683
local terms energy: -59.995898
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -11.227
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: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -104.207525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.207525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.207525 (E_RNA)
where:
Base-Base interactions energy: -56.131
where: short stacking energy: -29.330
Base-Backbone interact. energy: -0.104
local terms energy: -47.972237
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -8.183
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -88.521056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.521056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.521056 (E_RNA)
where:
Base-Base interactions energy: -37.792
where: short stacking energy: -33.814
Base-Backbone interact. energy: -0.104
local terms energy: -50.624710
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -4.506
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: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -125.489035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.489035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.489035 (E_RNA)
where:
Base-Base interactions energy: -78.358
where: short stacking energy: -37.041
Base-Backbone interact. energy: -0.017
local terms energy: -47.114071
where:
bonds (distance) C4'-P energy: -6.264
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -9.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -82.074937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.074937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.074937 (E_RNA)
where:
Base-Base interactions energy: -30.327
where: short stacking energy: -29.053
Base-Backbone interact. energy: 2.257
local terms energy: -54.005201
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -4.702
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: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -200.214909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.214909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.214909 (E_RNA)
where:
Base-Base interactions energy: -133.553
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.033
local terms energy: -66.628917
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -16.735
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: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -199.490312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.490312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.490312 (E_RNA)
where:
Base-Base interactions energy: -133.446
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.005
local terms energy: -66.038671
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -210.490246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.490246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.490246 (E_RNA)
where:
Base-Base interactions energy: -135.473
where: short stacking energy: -56.104
Base-Backbone interact. energy: -0.159
local terms energy: -74.858918
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -20.500
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: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -190.499211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.499211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.499211 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -50.892
Base-Backbone interact. energy: -0.088
local terms energy: -74.748283
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -157.769131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.769131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.769131 (E_RNA)
where:
Base-Base interactions energy: -99.306
where: short stacking energy: -43.758
Base-Backbone interact. energy: -0.141
local terms energy: -58.322030
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -8.088
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: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -171.471980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.471980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.471980 (E_RNA)
where:
Base-Base interactions energy: -108.490
where: short stacking energy: -53.957
Base-Backbone interact. energy: -0.179
local terms energy: -62.803023
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -13.386
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: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -99.742922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.742922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.742922 (E_RNA)
where:
Base-Base interactions energy: -40.436
where: short stacking energy: -40.662
Base-Backbone interact. energy: -0.079
local terms energy: -59.227656
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -93.818022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.818022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.818022 (E_RNA)
where:
Base-Base interactions energy: -32.454
where: short stacking energy: -28.561
Base-Backbone interact. energy: -0.117
local terms energy: -61.246686
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -86.741921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.741921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.741921 (E_RNA)
where:
Base-Base interactions energy: -29.220
where: short stacking energy: -28.115
Base-Backbone interact. energy: -0.275
local terms energy: -57.246467
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -76.991772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.991772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.991772 (E_RNA)
where:
Base-Base interactions energy: -28.460
where: short stacking energy: -26.668
Base-Backbone interact. energy: -0.290
local terms energy: -48.242401
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -2.200
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: 375
Temperature: 0.900000
Total energy: -205.860192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.860192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.860192 (E_RNA)
where:
Base-Base interactions energy: -129.736
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.042
local terms energy: -76.081505
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -18.551
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: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -202.191968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.191968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.191968 (E_RNA)
where:
Base-Base interactions energy: -133.838
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.499
local terms energy: -67.855089
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -200.175075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.175075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.175075 (E_RNA)
where:
Base-Base interactions energy: -124.942
where: short stacking energy: -67.420
Base-Backbone interact. energy: -0.219
local terms energy: -75.014276
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -155.772807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.772807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.772807 (E_RNA)
where:
Base-Base interactions energy: -87.416
where: short stacking energy: -53.599
Base-Backbone interact. energy: -0.001
local terms energy: -68.355271
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -12.529
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: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -191.109570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.109570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.109570 (E_RNA)
where:
Base-Base interactions energy: -115.783
where: short stacking energy: -52.621
Base-Backbone interact. energy: -0.023
local terms energy: -75.302865
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -148.392847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.392847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.392847 (E_RNA)
where:
Base-Base interactions energy: -95.737
where: short stacking energy: -45.795
Base-Backbone interact. energy: -0.725
local terms energy: -51.930444
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -7.568
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: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -97.092411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.092411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.092411 (E_RNA)
where:
Base-Base interactions energy: -39.453
where: short stacking energy: -38.809
Base-Backbone interact. energy: -0.302
local terms energy: -57.337355
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -82.946310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.946310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.946310 (E_RNA)
where:
Base-Base interactions energy: -27.301
where: short stacking energy: -27.021
Base-Backbone interact. energy: 0.427
local terms energy: -56.072016
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -80.075136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.075136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.075136 (E_RNA)
where:
Base-Base interactions energy: -28.333
where: short stacking energy: -22.996
Base-Backbone interact. energy: -0.108
local terms energy: -51.634757
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -3.833
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: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -77.887709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.887709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.887709 (E_RNA)
where:
Base-Base interactions energy: -31.276
where: short stacking energy: -29.900
Base-Backbone interact. energy: -0.098
local terms energy: -46.513661
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -216.111465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.111465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111465 (E_RNA)
where:
Base-Base interactions energy: -142.623
where: short stacking energy: -71.319
Base-Backbone interact. energy: 0.321
local terms energy: -73.809213
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -6.749
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: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -197.479155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.479155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.479155 (E_RNA)
where:
Base-Base interactions energy: -130.472
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.097
local terms energy: -66.909333
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -201.243361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.243361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.243361 (E_RNA)
where:
Base-Base interactions energy: -127.473
where: short stacking energy: -60.499
Base-Backbone interact. energy: -0.157
local terms energy: -73.613647
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -16.228
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: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -169.556918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.556918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.556918 (E_RNA)
where:
Base-Base interactions energy: -97.855
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.298
local terms energy: -71.403753
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -20.058
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: 376
Temperature: 1.100000
Total energy: -190.506209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.506209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.506209 (E_RNA)
where:
Base-Base interactions energy: -133.439
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.690
local terms energy: -56.377309
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -147.595999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.595999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.595999 (E_RNA)
where:
Base-Base interactions energy: -94.283
where: short stacking energy: -46.574
Base-Backbone interact. energy: -0.154
local terms energy: -53.158267
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -91.380980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.380980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.380980 (E_RNA)
where:
Base-Base interactions energy: -39.556
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.431
local terms energy: -51.394060
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -5.142
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: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -92.289016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.289016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.289016 (E_RNA)
where:
Base-Base interactions energy: -37.398
where: short stacking energy: -37.398
Base-Backbone interact. energy: -0.135
local terms energy: -54.756209
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -86.457677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.457677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.457677 (E_RNA)
where:
Base-Base interactions energy: -35.223
where: short stacking energy: -22.571
Base-Backbone interact. energy: -0.182
local terms energy: -51.052287
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -6.137
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -76.954926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.954926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.954926 (E_RNA)
where:
Base-Base interactions energy: -29.433
where: short stacking energy: -23.264
Base-Backbone interact. energy: -0.044
local terms energy: -47.477816
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -211.388908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.388908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.388908 (E_RNA)
where:
Base-Base interactions energy: -131.987
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.200
local terms energy: -79.202054
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -202.538597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.538597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.538597 (E_RNA)
where:
Base-Base interactions energy: -132.759
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.003
local terms energy: -69.776996
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -18.122
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: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -199.278650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.278650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.278650 (E_RNA)
where:
Base-Base interactions energy: -127.286
where: short stacking energy: -57.655
Base-Backbone interact. energy: -0.466
local terms energy: -71.526816
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -14.938
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: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -201.565166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.565166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.565166 (E_RNA)
where:
Base-Base interactions energy: -124.599
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.851
local terms energy: -76.114703
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -19.415
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: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -184.217543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.217543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.217543 (E_RNA)
where:
Base-Base interactions energy: -112.443
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.049
local terms energy: -71.725227
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -184.013141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.013141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.013141 (E_RNA)
where:
Base-Base interactions energy: -126.268
where: short stacking energy: -47.556
Base-Backbone interact. energy: -0.545
local terms energy: -57.199855
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -105.636723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.636723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.636723 (E_RNA)
where:
Base-Base interactions energy: -55.534
where: short stacking energy: -46.498
Base-Backbone interact. energy: 0.746
local terms energy: -50.848653
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -5.140
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: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -85.346745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.346745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.346745 (E_RNA)
where:
Base-Base interactions energy: -36.402
where: short stacking energy: -27.340
Base-Backbone interact. energy: -0.145
local terms energy: -48.799778
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -86.621123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.621123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.621123 (E_RNA)
where:
Base-Base interactions energy: -45.028
where: short stacking energy: -36.200
Base-Backbone interact. energy: -0.239
local terms energy: -41.353968
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -5.196
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -79.384852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.384852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.384852 (E_RNA)
where:
Base-Base interactions energy: -26.393
where: short stacking energy: -26.393
Base-Backbone interact. energy: -0.151
local terms energy: -52.840553
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: 0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -217.282962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.282962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.282962 (E_RNA)
where:
Base-Base interactions energy: -144.409
where: short stacking energy: -68.846
Base-Backbone interact. energy: -0.067
local terms energy: -72.807350
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -203.367131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.367131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.367131 (E_RNA)
where:
Base-Base interactions energy: -129.127
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.401
local terms energy: -73.839493
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -17.089
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: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -199.999693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.999693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.999693 (E_RNA)
where:
Base-Base interactions energy: -128.426
where: short stacking energy: -64.060
Base-Backbone interact. energy: -0.016
local terms energy: -71.558338
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -204.147864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.147864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.147864 (E_RNA)
where:
Base-Base interactions energy: -130.476
where: short stacking energy: -53.801
Base-Backbone interact. energy: -0.005
local terms energy: -73.667353
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -19.352
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -197.636702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.636702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.636702 (E_RNA)
where:
Base-Base interactions energy: -125.819
where: short stacking energy: -63.792
Base-Backbone interact. energy: -0.002
local terms energy: -71.815500
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -182.468879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.468879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.468879 (E_RNA)
where:
Base-Base interactions energy: -117.564
where: short stacking energy: -56.488
Base-Backbone interact. energy: -0.368
local terms energy: -64.536832
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -11.652
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: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -92.176251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.176251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.176251 (E_RNA)
where:
Base-Base interactions energy: -41.797
where: short stacking energy: -36.337
Base-Backbone interact. energy: 0.298
local terms energy: -50.676878
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -9.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -83.529941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.529941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.529941 (E_RNA)
where:
Base-Base interactions energy: -25.511
where: short stacking energy: -25.511
Base-Backbone interact. energy: -0.316
local terms energy: -57.703682
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -83.619917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.619917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.619917 (E_RNA)
where:
Base-Base interactions energy: -26.074
where: short stacking energy: -26.074
Base-Backbone interact. energy: -0.179
local terms energy: -57.367053
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -77.808100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.808100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.808100 (E_RNA)
where:
Base-Base interactions energy: -26.512
where: short stacking energy: -20.943
Base-Backbone interact. energy: -0.659
local terms energy: -50.636829
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -219.593029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.593029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.593029 (E_RNA)
where:
Base-Base interactions energy: -147.065
where: short stacking energy: -68.410
Base-Backbone interact. energy: -0.003
local terms energy: -72.525716
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -215.001368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.001368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.001368 (E_RNA)
where:
Base-Base interactions energy: -142.827
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.306
local terms energy: -71.868207
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -205.131947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.131947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.131947 (E_RNA)
where:
Base-Base interactions energy: -138.200
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.151
local terms energy: -66.781362
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -13.993
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: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -210.109388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.109388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.109388 (E_RNA)
where:
Base-Base interactions energy: -130.809
where: short stacking energy: -68.750
Base-Backbone interact. energy: -0.000
local terms energy: -79.300345
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -187.402989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.402989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.402989 (E_RNA)
where:
Base-Base interactions energy: -118.718
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.001
local terms energy: -68.684130
where:
bonds (distance) C4'-P energy: -7.221
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -18.932
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: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -189.394312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.394312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.394312 (E_RNA)
where:
Base-Base interactions energy: -131.299
where: short stacking energy: -55.894
Base-Backbone interact. energy: -0.384
local terms energy: -57.710874
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -11.018
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: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -85.854934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.854934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.854934 (E_RNA)
where:
Base-Base interactions energy: -34.898
where: short stacking energy: -34.898
Base-Backbone interact. energy: -0.138
local terms energy: -50.818092
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -2.544
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: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -95.382947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.382947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.382947 (E_RNA)
where:
Base-Base interactions energy: -44.878
where: short stacking energy: -44.878
Base-Backbone interact. energy: -0.010
local terms energy: -50.495681
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -74.259219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.259219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.259219 (E_RNA)
where:
Base-Base interactions energy: -13.760
where: short stacking energy: -13.760
Base-Backbone interact. energy: -0.029
local terms energy: -60.470065
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -2.051
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: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -70.620185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.620185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.620185 (E_RNA)
where:
Base-Base interactions energy: -19.862
where: short stacking energy: -16.978
Base-Backbone interact. energy: -0.003
local terms energy: -50.755616
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -0.266
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: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -205.717316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.717316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.717316 (E_RNA)
where:
Base-Base interactions energy: -134.930
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.597
local terms energy: -70.191097
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -15.857
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: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -205.882857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.882857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.882857 (E_RNA)
where:
Base-Base interactions energy: -130.200
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.043
local terms energy: -75.640401
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -20.193
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: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -204.727407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.727407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.727407 (E_RNA)
where:
Base-Base interactions energy: -138.135
where: short stacking energy: -52.232
Base-Backbone interact. energy: -0.147
local terms energy: -66.446141
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -193.665285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.665285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.665285 (E_RNA)
where:
Base-Base interactions energy: -118.888
where: short stacking energy: -57.887
Base-Backbone interact. energy: -0.017
local terms energy: -74.760955
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -184.401444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.401444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.401444 (E_RNA)
where:
Base-Base interactions energy: -118.620
where: short stacking energy: -61.033
Base-Backbone interact. energy: -0.053
local terms energy: -65.728992
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -9.232
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: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -179.240738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.240738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.240738 (E_RNA)
where:
Base-Base interactions energy: -118.857
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.101
local terms energy: -60.282561
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -87.141461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.141461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.141461 (E_RNA)
where:
Base-Base interactions energy: -35.763
where: short stacking energy: -32.402
Base-Backbone interact. energy: 0.050
local terms energy: -51.428507
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -91.581352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.581352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.581352 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -34.536
Base-Backbone interact. energy: -0.005
local terms energy: -56.540684
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -86.136464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.136464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.136464 (E_RNA)
where:
Base-Base interactions energy: -38.036
where: short stacking energy: -30.216
Base-Backbone interact. energy: -0.062
local terms energy: -48.038115
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -8.436
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -76.584735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.584735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.584735 (E_RNA)
where:
Base-Base interactions energy: -36.889
where: short stacking energy: -27.424
Base-Backbone interact. energy: 1.728
local terms energy: -41.423763
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: 3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -210.973895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.973895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.973895 (E_RNA)
where:
Base-Base interactions energy: -135.440
where: short stacking energy: -71.430
Base-Backbone interact. energy: -0.003
local terms energy: -75.530770
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -206.705410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.705410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.705410 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -53.526
Base-Backbone interact. energy: -1.178
local terms energy: -77.486110
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -204.895819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.895819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.895819 (E_RNA)
where:
Base-Base interactions energy: -130.989
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.056
local terms energy: -73.851234
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -195.157803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.157803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.157803 (E_RNA)
where:
Base-Base interactions energy: -125.173
where: short stacking energy: -54.625
Base-Backbone interact. energy: -0.130
local terms energy: -69.854678
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -202.719697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.719697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.719697 (E_RNA)
where:
Base-Base interactions energy: -130.539
where: short stacking energy: -75.483
Base-Backbone interact. energy: -0.007
local terms energy: -72.174399
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -184.848177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.848177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.848177 (E_RNA)
where:
Base-Base interactions energy: -118.895
where: short stacking energy: -55.083
Base-Backbone interact. energy: -0.089
local terms energy: -65.863659
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -86.785429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.785429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.785429 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -35.313
Base-Backbone interact. energy: -1.025
local terms energy: -48.660547
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -4.180
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: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -94.789643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789643 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -23.857
Base-Backbone interact. energy: -0.180
local terms energy: -55.576023
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -93.150041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.150041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.150041 (E_RNA)
where:
Base-Base interactions energy: -40.617
where: short stacking energy: -40.617
Base-Backbone interact. energy: -0.276
local terms energy: -52.257250
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -8.763
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -76.654271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.654271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.654271 (E_RNA)
where:
Base-Base interactions energy: -29.672
where: short stacking energy: -22.418
Base-Backbone interact. energy: 0.178
local terms energy: -47.160989
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -215.814521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.814521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.814521 (E_RNA)
where:
Base-Base interactions energy: -133.539
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.128
local terms energy: -82.147067
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -20.565
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: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -206.850070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.850070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.850070 (E_RNA)
where:
Base-Base interactions energy: -128.207
where: short stacking energy: -63.824
Base-Backbone interact. energy: -0.726
local terms energy: -77.917652
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -18.594
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: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -200.252087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.252087 (E_RNA)
where:
Base-Base interactions energy: -122.445
where: short stacking energy: -59.474
Base-Backbone interact. energy: -0.293
local terms energy: -77.514852
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -18.148
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: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -192.376391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.376391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.376391 (E_RNA)
where:
Base-Base interactions energy: -123.912
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.066
local terms energy: -68.397686
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -15.441
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: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -201.236532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.236532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.236532 (E_RNA)
where:
Base-Base interactions energy: -123.445
where: short stacking energy: -62.953
Base-Backbone interact. energy: -0.218
local terms energy: -77.573271
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -167.219271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.219271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.219271 (E_RNA)
where:
Base-Base interactions energy: -106.348
where: short stacking energy: -60.801
Base-Backbone interact. energy: -1.320
local terms energy: -59.551097
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -79.637751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.637751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.637751 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -32.290
Base-Backbone interact. energy: -0.087
local terms energy: -47.259871
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -8.615
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: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -83.747155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.747155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.747155 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -29.386
Base-Backbone interact. energy: -0.389
local terms energy: -48.548042
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -5.083
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: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -94.225948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.225948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.225948 (E_RNA)
where:
Base-Base interactions energy: -34.596
where: short stacking energy: -34.596
Base-Backbone interact. energy: -0.171
local terms energy: -59.458524
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -9.752
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: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -74.854421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.854421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.854421 (E_RNA)
where:
Base-Base interactions energy: -25.420
where: short stacking energy: -26.020
Base-Backbone interact. energy: 1.319
local terms energy: -50.753276
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -213.306968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.306968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.306968 (E_RNA)
where:
Base-Base interactions energy: -134.666
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.001
local terms energy: -78.640296
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -18.296
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: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -198.523587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.523587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.523587 (E_RNA)
where:
Base-Base interactions energy: -124.473
where: short stacking energy: -54.691
Base-Backbone interact. energy: 0.164
local terms energy: -74.214433
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -16.183
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: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -194.291484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.291484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.291484 (E_RNA)
where:
Base-Base interactions energy: -127.273
where: short stacking energy: -67.416
Base-Backbone interact. energy: -0.099
local terms energy: -66.919283
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -187.161120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.161120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.161120 (E_RNA)
where:
Base-Base interactions energy: -112.666
where: short stacking energy: -60.286
Base-Backbone interact. energy: 0.295
local terms energy: -74.790399
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -175.570633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.570633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.570633 (E_RNA)
where:
Base-Base interactions energy: -114.547
where: short stacking energy: -49.455
Base-Backbone interact. energy: -0.085
local terms energy: -60.938413
where:
bonds (distance) C4'-P energy: -7.277
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -156.370689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.370689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.370689 (E_RNA)
where:
Base-Base interactions energy: -108.747
where: short stacking energy: -45.952
Base-Backbone interact. energy: -0.316
local terms energy: -47.307259
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -8.511
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -7.495
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: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -84.627354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.627354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.627354 (E_RNA)
where:
Base-Base interactions energy: -32.020
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.621
local terms energy: -51.986416
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -88.387229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.387229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.387229 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -31.057
Base-Backbone interact. energy: -0.162
local terms energy: -52.813016
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -4.677
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: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -83.944805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.944805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.944805 (E_RNA)
where:
Base-Base interactions energy: -32.799
where: short stacking energy: -31.804
Base-Backbone interact. energy: -0.838
local terms energy: -50.307829
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -4.715
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: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -72.876873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.876873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.876873 (E_RNA)
where:
Base-Base interactions energy: -27.526
where: short stacking energy: -25.770
Base-Backbone interact. energy: -0.208
local terms energy: -45.142665
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -209.254367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.254367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.254367 (E_RNA)
where:
Base-Base interactions energy: -129.979
where: short stacking energy: -67.687
Base-Backbone interact. energy: -0.003
local terms energy: -79.272627
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -209.838160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.838160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.838160 (E_RNA)
where:
Base-Base interactions energy: -140.592
where: short stacking energy: -66.080
Base-Backbone interact. energy: -0.263
local terms energy: -68.983442
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -202.280355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.280355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.280355 (E_RNA)
where:
Base-Base interactions energy: -132.314
where: short stacking energy: -61.480
Base-Backbone interact. energy: -0.387
local terms energy: -69.579153
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -190.373334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.373334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.373334 (E_RNA)
where:
Base-Base interactions energy: -124.099
where: short stacking energy: -62.514
Base-Backbone interact. energy: -0.282
local terms energy: -65.992165
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -160.154707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.154707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.154707 (E_RNA)
where:
Base-Base interactions energy: -100.514
where: short stacking energy: -51.273
Base-Backbone interact. energy: -0.124
local terms energy: -59.516847
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -170.877417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.877417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.877417 (E_RNA)
where:
Base-Base interactions energy: -110.844
where: short stacking energy: -54.018
Base-Backbone interact. energy: -0.221
local terms energy: -59.812341
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -99.410829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.410829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.410829 (E_RNA)
where:
Base-Base interactions energy: -41.351
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.012
local terms energy: -58.047338
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -4.087
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -99.061608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.061608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.061608 (E_RNA)
where:
Base-Base interactions energy: -42.634
where: short stacking energy: -42.634
Base-Backbone interact. energy: 2.274
local terms energy: -58.701260
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -7.674
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: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -95.427639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.427639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.427639 (E_RNA)
where:
Base-Base interactions energy: -47.595
where: short stacking energy: -26.976
Base-Backbone interact. energy: 0.139
local terms energy: -47.971603
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -0.240
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: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -84.486117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.486117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.486117 (E_RNA)
where:
Base-Base interactions energy: -34.122
where: short stacking energy: -22.042
Base-Backbone interact. energy: -0.132
local terms energy: -50.232583
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -4.738
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: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -218.328428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.328428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.328428 (E_RNA)
where:
Base-Base interactions energy: -142.433
where: short stacking energy: -70.343
Base-Backbone interact. energy: 1.592
local terms energy: -77.487640
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -205.881420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.881420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.881420 (E_RNA)
where:
Base-Base interactions energy: -132.019
where: short stacking energy: -69.250
Base-Backbone interact. energy: -0.002
local terms energy: -73.860422
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -18.316
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: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -188.189715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.189715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.189715 (E_RNA)
where:
Base-Base interactions energy: -125.752
where: short stacking energy: -56.824
Base-Backbone interact. energy: -0.027
local terms energy: -62.410905
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.058
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: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -196.563311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.563311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.563311 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.416
local terms energy: -68.585885
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -16.138
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: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -185.519073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519073 (E_RNA)
where:
Base-Base interactions energy: -121.951
where: short stacking energy: -58.695
Base-Backbone interact. energy: -0.220
local terms energy: -63.348405
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -12.483
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: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -180.913965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.913965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.913965 (E_RNA)
where:
Base-Base interactions energy: -110.526
where: short stacking energy: -53.513
Base-Backbone interact. energy: -0.072
local terms energy: -70.316465
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -85.968464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.968464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.968464 (E_RNA)
where:
Base-Base interactions energy: -29.769
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.018
local terms energy: -56.181506
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -81.619330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.619330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.619330 (E_RNA)
where:
Base-Base interactions energy: -33.281
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.052
local terms energy: -48.286668
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -81.497327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.497327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.497327 (E_RNA)
where:
Base-Base interactions energy: -35.901
where: short stacking energy: -35.901
Base-Backbone interact. energy: -0.047
local terms energy: -45.549702
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -5.869
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -6.660
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: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -80.431042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.431042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.431042 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -25.672
Base-Backbone interact. energy: 0.216
local terms energy: -51.188790
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: 4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -209.736282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.736282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.736282 (E_RNA)
where:
Base-Base interactions energy: -128.796
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.616
local terms energy: -80.324317
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -21.734
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: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -194.625737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.625737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.625737 (E_RNA)
where:
Base-Base interactions energy: -126.146
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.693
local terms energy: -67.786316
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -13.641
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: 3, replica: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -198.265844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.265844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.265844 (E_RNA)
where:
Base-Base interactions energy: -125.295
where: short stacking energy: -55.766
Base-Backbone interact. energy: -0.055
local terms energy: -72.916371
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -191.436553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.436553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.436553 (E_RNA)
where:
Base-Base interactions energy: -124.810
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.006
local terms energy: -66.620308
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -185.249692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.249692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.249692 (E_RNA)
where:
Base-Base interactions energy: -121.981
where: short stacking energy: -52.463
Base-Backbone interact. energy: -0.101
local terms energy: -63.167962
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -173.276246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.276246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.276246 (E_RNA)
where:
Base-Base interactions energy: -114.089
where: short stacking energy: -48.611
Base-Backbone interact. energy: -0.159
local terms energy: -59.027722
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -2.579
tors. eta vs tors. theta energy: -12.935
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -96.439936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.439936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.439936 (E_RNA)
where:
Base-Base interactions energy: -43.191
where: short stacking energy: -29.086
Base-Backbone interact. energy: -0.039
local terms energy: -53.210185
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -88.710083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.710083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.710083 (E_RNA)
where:
Base-Base interactions energy: -35.744
where: short stacking energy: -33.047
Base-Backbone interact. energy: -0.183
local terms energy: -52.783326
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -10.386
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: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -100.618553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.618553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.618553 (E_RNA)
where:
Base-Base interactions energy: -46.582
where: short stacking energy: -46.582
Base-Backbone interact. energy: 1.218
local terms energy: -55.254650
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -79.606521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.606521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.606521 (E_RNA)
where:
Base-Base interactions energy: -32.564
where: short stacking energy: -31.518
Base-Backbone interact. energy: 0.444
local terms energy: -47.486545
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -3.960
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: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -210.314501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.314501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.314501 (E_RNA)
where:
Base-Base interactions energy: -136.433
where: short stacking energy: -72.289
Base-Backbone interact. energy: -0.009
local terms energy: -73.872671
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.742
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: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -198.500483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.500483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.500483 (E_RNA)
where:
Base-Base interactions energy: -130.947
where: short stacking energy: -54.496
Base-Backbone interact. energy: -0.338
local terms energy: -67.215882
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -194.014308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.014308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.014308 (E_RNA)
where:
Base-Base interactions energy: -123.639
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.361
local terms energy: -70.014884
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -199.655905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.655905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.655905 (E_RNA)
where:
Base-Base interactions energy: -128.638
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.000
local terms energy: -71.017654
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -21.930
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: 2
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -188.620102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.620102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.620102 (E_RNA)
where:
Base-Base interactions energy: -122.000
where: short stacking energy: -52.393
Base-Backbone interact. energy: -0.001
local terms energy: -66.618895
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -94.221143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.221143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.221143 (E_RNA)
where:
Base-Base interactions energy: -48.869
where: short stacking energy: -37.767
Base-Backbone interact. energy: -0.087
local terms energy: -45.265469
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: 1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -171.515968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.515968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.515968 (E_RNA)
where:
Base-Base interactions energy: -112.661
where: short stacking energy: -53.396
Base-Backbone interact. energy: -0.075
local terms energy: -58.779298
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -83.906413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.906413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.906413 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.038
local terms energy: -52.793971
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -80.284220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.284220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.284220 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.172
local terms energy: -41.295038
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: 0.549
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: 387
Temperature: 1.350000
Total energy: -116.563210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.563210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.563210 (E_RNA)
where:
Base-Base interactions energy: -70.469
where: short stacking energy: -33.382
Base-Backbone interact. energy: -1.536
local terms energy: -44.558736
where:
bonds (distance) C4'-P energy: -7.904
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -1.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -213.957473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.957473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.957473 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.217
local terms energy: -71.760622
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -203.221158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.221158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.221158 (E_RNA)
where:
Base-Base interactions energy: -135.797
where: short stacking energy: -68.819
Base-Backbone interact. energy: -0.071
local terms energy: -67.353407
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -201.234100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.234100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.234100 (E_RNA)
where:
Base-Base interactions energy: -129.099
where: short stacking energy: -65.000
Base-Backbone interact. energy: 0.281
local terms energy: -72.416208
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -196.103476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.103476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.103476 (E_RNA)
where:
Base-Base interactions energy: -129.602
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.011
local terms energy: -66.490669
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -17.394
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: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -182.031096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.031096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.031096 (E_RNA)
where:
Base-Base interactions energy: -111.860
where: short stacking energy: -51.793
Base-Backbone interact. energy: -0.326
local terms energy: -69.845517
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -12.232
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: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -103.607505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.607505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.607505 (E_RNA)
where:
Base-Base interactions energy: -40.883
where: short stacking energy: -40.883
Base-Backbone interact. energy: -0.041
local terms energy: -62.683674
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -170.791711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.791711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.791711 (E_RNA)
where:
Base-Base interactions energy: -112.321
where: short stacking energy: -42.608
Base-Backbone interact. energy: 1.117
local terms energy: -59.587782
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -79.694133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.694133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.694133 (E_RNA)
where:
Base-Base interactions energy: -33.544
where: short stacking energy: -22.729
Base-Backbone interact. energy: -1.199
local terms energy: -44.950717
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -144.695609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.695609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.695609 (E_RNA)
where:
Base-Base interactions energy: -84.398
where: short stacking energy: -44.604
Base-Backbone interact. energy: -0.029
local terms energy: -60.268789
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -75.899649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.899649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.899649 (E_RNA)
where:
Base-Base interactions energy: -30.992
where: short stacking energy: -30.992
Base-Backbone interact. energy: -0.243
local terms energy: -44.664401
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -0.660
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: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -213.567112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.567112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.567112 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -64.590
Base-Backbone interact. energy: -0.136
local terms energy: -71.259513
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -17.368
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: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -203.331031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.331031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.331031 (E_RNA)
where:
Base-Base interactions energy: -130.248
where: short stacking energy: -61.210
Base-Backbone interact. energy: -0.181
local terms energy: -72.902145
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -204.203634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.203634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.203634 (E_RNA)
where:
Base-Base interactions energy: -134.534
where: short stacking energy: -75.686
Base-Backbone interact. energy: -0.000
local terms energy: -69.669612
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -194.387445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.387445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.387445 (E_RNA)
where:
Base-Base interactions energy: -126.559
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.115
local terms energy: -67.713345
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -187.287863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.287863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.287863 (E_RNA)
where:
Base-Base interactions energy: -117.549
where: short stacking energy: -57.057
Base-Backbone interact. energy: -0.093
local terms energy: -69.645309
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -178.560887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.560887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.560887 (E_RNA)
where:
Base-Base interactions energy: -108.249
where: short stacking energy: -55.566
Base-Backbone interact. energy: -0.023
local terms energy: -70.288953
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -85.946180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.946180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.946180 (E_RNA)
where:
Base-Base interactions energy: -40.272
where: short stacking energy: -40.272
Base-Backbone interact. energy: -0.101
local terms energy: -45.572487
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -155.995475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.995475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.995475 (E_RNA)
where:
Base-Base interactions energy: -103.220
where: short stacking energy: -53.823
Base-Backbone interact. energy: -1.288
local terms energy: -51.487491
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -7.517
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -5.649
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: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -86.046376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.046376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.046376 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.601
local terms energy: -51.608789
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -1.305
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: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -80.841114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.841114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.841114 (E_RNA)
where:
Base-Base interactions energy: -33.961
where: short stacking energy: -33.961
Base-Backbone interact. energy: -0.091
local terms energy: -46.789453
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -7.651
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -212.694276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.694276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.694276 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -58.070
Base-Backbone interact. energy: -0.182
local terms energy: -78.857588
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -200.522726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.522726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.522726 (E_RNA)
where:
Base-Base interactions energy: -128.114
where: short stacking energy: -61.798
Base-Backbone interact. energy: -0.002
local terms energy: -72.406681
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -199.549189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.549189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.549189 (E_RNA)
where:
Base-Base interactions energy: -125.638
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.228
local terms energy: -73.683667
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -16.948
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: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -200.436843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.436843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.436843 (E_RNA)
where:
Base-Base interactions energy: -124.379
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.463
local terms energy: -75.595287
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.231
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: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -168.472662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.472662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.472662 (E_RNA)
where:
Base-Base interactions energy: -106.628
where: short stacking energy: -47.349
Base-Backbone interact. energy: -0.350
local terms energy: -61.494802
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -10.312
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: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -181.649691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.649691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.649691 (E_RNA)
where:
Base-Base interactions energy: -114.667
where: short stacking energy: -52.329
Base-Backbone interact. energy: -0.292
local terms energy: -66.691043
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -141.818031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.818031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.818031 (E_RNA)
where:
Base-Base interactions energy: -85.930
where: short stacking energy: -38.003
Base-Backbone interact. energy: -0.560
local terms energy: -55.327589
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -92.892605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.892605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.892605 (E_RNA)
where:
Base-Base interactions energy: -32.471
where: short stacking energy: -29.200
Base-Backbone interact. energy: -0.419
local terms energy: -60.002942
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -4.769
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: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -87.823474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.823474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.823474 (E_RNA)
where:
Base-Base interactions energy: -27.343
where: short stacking energy: -27.245
Base-Backbone interact. energy: -1.198
local terms energy: -59.282501
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -11.078
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: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -79.826492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.826492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.826492 (E_RNA)
where:
Base-Base interactions energy: -34.926
where: short stacking energy: -34.926
Base-Backbone interact. energy: -0.345
local terms energy: -44.554599
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -1.021
tors. eta vs tors. theta energy: -4.622
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: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -197.404650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.404650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.404650 (E_RNA)
where:
Base-Base interactions energy: -127.216
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.818
local terms energy: -69.370152
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -197.745523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.745523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.745523 (E_RNA)
where:
Base-Base interactions energy: -125.477
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.932
local terms energy: -71.336739
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -9.554
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -201.638366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.638366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.638366 (E_RNA)
where:
Base-Base interactions energy: -129.260
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.689
local terms energy: -71.689324
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -19.297
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: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -200.658890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.658890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.658890 (E_RNA)
where:
Base-Base interactions energy: -134.887
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.217
local terms energy: -65.554645
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -13.946
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: 391
Temperature: 1.100000
Total energy: -183.270090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.270090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.270090 (E_RNA)
where:
Base-Base interactions energy: -114.268
where: short stacking energy: -48.244
Base-Backbone interact. energy: -0.068
local terms energy: -68.933254
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -174.364977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.364977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.364977 (E_RNA)
where:
Base-Base interactions energy: -112.122
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.288
local terms energy: -61.955554
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -8.015
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: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -153.258813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.258813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.258813 (E_RNA)
where:
Base-Base interactions energy: -92.861
where: short stacking energy: -41.245
Base-Backbone interact. energy: -0.522
local terms energy: -59.875694
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -5.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -87.196927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.196927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.196927 (E_RNA)
where:
Base-Base interactions energy: -30.552
where: short stacking energy: -27.728
Base-Backbone interact. energy: -0.043
local terms energy: -56.602516
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -81.707847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.707847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.707847 (E_RNA)
where:
Base-Base interactions energy: -31.339
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.069
local terms energy: -50.299967
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -3.820
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: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -69.354152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.354152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.354152 (E_RNA)
where:
Base-Base interactions energy: -15.937
where: short stacking energy: -15.792
Base-Backbone interact. energy: -0.212
local terms energy: -53.206134
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -202.845411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.845411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.845411 (E_RNA)
where:
Base-Base interactions energy: -128.585
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.316
local terms energy: -73.944951
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -20.955
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: 392
Temperature: 0.950000
Total energy: -198.093639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.093639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.093639 (E_RNA)
where:
Base-Base interactions energy: -127.053
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.015
local terms energy: -71.025551
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -202.782496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.782496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.782496 (E_RNA)
where:
Base-Base interactions energy: -123.649
where: short stacking energy: -63.811
Base-Backbone interact. energy: -0.001
local terms energy: -79.133125
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -20.573
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: 392
Temperature: 1.050000
Total energy: -194.935307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.935307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.935307 (E_RNA)
where:
Base-Base interactions energy: -122.222
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.611
local terms energy: -72.101367
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -18.316
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: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -176.692594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.692594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.692594 (E_RNA)
where:
Base-Base interactions energy: -118.965
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.047
local terms energy: -57.680824
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -183.333226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.333226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.333226 (E_RNA)
where:
Base-Base interactions energy: -121.061
where: short stacking energy: -60.216
Base-Backbone interact. energy: -0.600
local terms energy: -61.672727
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -104.345625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.345625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.345625 (E_RNA)
where:
Base-Base interactions energy: -38.770
where: short stacking energy: -36.625
Base-Backbone interact. energy: -0.752
local terms energy: -64.824220
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -10.672
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: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -134.267740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.267740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.267740 (E_RNA)
where:
Base-Base interactions energy: -78.366
where: short stacking energy: -47.140
Base-Backbone interact. energy: 0.393
local terms energy: -56.294523
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -91.063849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.063849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.063849 (E_RNA)
where:
Base-Base interactions energy: -44.842
where: short stacking energy: -35.868
Base-Backbone interact. energy: 0.695
local terms energy: -46.916780
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -8.498
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.598879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.598879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.598879 (E_RNA)
where:
Base-Base interactions energy: -34.300
where: short stacking energy: -34.300
Base-Backbone interact. energy: -0.077
local terms energy: -45.221776
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -205.727990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.727990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.727990 (E_RNA)
where:
Base-Base interactions energy: -134.665
where: short stacking energy: -60.744
Base-Backbone interact. energy: -0.025
local terms energy: -71.038394
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -18.731
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: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -198.730186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.730186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.730186 (E_RNA)
where:
Base-Base interactions energy: -128.589
where: short stacking energy: -57.777
Base-Backbone interact. energy: -0.025
local terms energy: -70.115766
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -208.875785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.875785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.875785 (E_RNA)
where:
Base-Base interactions energy: -139.027
where: short stacking energy: -69.773
Base-Backbone interact. energy: -1.055
local terms energy: -68.794322
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -17.585
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: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -202.714572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.714572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.714572 (E_RNA)
where:
Base-Base interactions energy: -130.391
where: short stacking energy: -68.951
Base-Backbone interact. energy: -0.304
local terms energy: -72.018966
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -191.874490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.874490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.874490 (E_RNA)
where:
Base-Base interactions energy: -120.263
where: short stacking energy: -58.916
Base-Backbone interact. energy: -1.259
local terms energy: -70.352689
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -182.810769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.810769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.810769 (E_RNA)
where:
Base-Base interactions energy: -113.857
where: short stacking energy: -53.191
Base-Backbone interact. energy: -0.974
local terms energy: -67.979541
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -90.949360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.949360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.949360 (E_RNA)
where:
Base-Base interactions energy: -45.397
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.555
local terms energy: -44.997391
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: 4.360
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: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -93.126684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.126684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.126684 (E_RNA)
where:
Base-Base interactions energy: -40.596
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.107
local terms energy: -52.424021
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -6.517
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -5.687
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: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -128.952250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.952250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.952250 (E_RNA)
where:
Base-Base interactions energy: -79.080
where: short stacking energy: -39.050
Base-Backbone interact. energy: -0.133
local terms energy: -49.739183
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -3.601
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: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -76.444441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.444441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.444441 (E_RNA)
where:
Base-Base interactions energy: -33.993
where: short stacking energy: -11.890
Base-Backbone interact. energy: -0.137
local terms energy: -42.314414
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -7.711
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: 5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -202.241453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.241453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.241453 (E_RNA)
where:
Base-Base interactions energy: -126.607
where: short stacking energy: -57.237
Base-Backbone interact. energy: -0.936
local terms energy: -74.698165
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -14.094
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: 394
Temperature: 0.950000
Total energy: -201.956112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.956112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.956112 (E_RNA)
where:
Base-Base interactions energy: -124.447
where: short stacking energy: -60.064
Base-Backbone interact. energy: -0.002
local terms energy: -77.506367
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -17.242
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: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -199.081747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.081747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.081747 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.011
local terms energy: -71.656850
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -195.591156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.591156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.591156 (E_RNA)
where:
Base-Base interactions energy: -123.562
where: short stacking energy: -67.333
Base-Backbone interact. energy: -0.209
local terms energy: -71.820038
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -192.637186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.637186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.637186 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -61.288
Base-Backbone interact. energy: -1.359
local terms energy: -65.543047
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -16.900
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: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -167.810523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.810523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.810523 (E_RNA)
where:
Base-Base interactions energy: -105.132
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.184
local terms energy: -62.494471
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -11.772
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: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -88.652256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.652256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.652256 (E_RNA)
where:
Base-Base interactions energy: -36.627
where: short stacking energy: -33.347
Base-Backbone interact. energy: -1.443
local terms energy: -50.582257
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -78.719185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.719185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.719185 (E_RNA)
where:
Base-Base interactions energy: -26.914
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.097
local terms energy: -51.708387
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -80.075498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.075498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.075498 (E_RNA)
where:
Base-Base interactions energy: -33.989
where: short stacking energy: -19.914
Base-Backbone interact. energy: -0.362
local terms energy: -45.723904
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: 0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -105.786943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.786943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.786943 (E_RNA)
where:
Base-Base interactions energy: -59.432
where: short stacking energy: -30.672
Base-Backbone interact. energy: 1.558
local terms energy: -47.912611
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -2.280
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: 8
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -202.645744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645744 (E_RNA)
where:
Base-Base interactions energy: -128.515
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.129
local terms energy: -74.001960
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -17.411
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: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -209.217306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.217306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.217306 (E_RNA)
where:
Base-Base interactions energy: -134.583
where: short stacking energy: -64.524
Base-Backbone interact. energy: -0.091
local terms energy: -74.542925
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -20.664
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: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -190.631666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.631666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.631666 (E_RNA)
where:
Base-Base interactions energy: -125.543
where: short stacking energy: -51.155
Base-Backbone interact. energy: -0.099
local terms energy: -64.989660
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -13.841
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: 395
Temperature: 1.050000
Total energy: -201.856910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.856910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.856910 (E_RNA)
where:
Base-Base interactions energy: -129.713
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.001
local terms energy: -72.142618
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -21.569
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -196.138202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.138202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.138202 (E_RNA)
where:
Base-Base interactions energy: -120.596
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.025
local terms energy: -75.516809
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -12.602
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: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -171.826047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.826047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.826047 (E_RNA)
where:
Base-Base interactions energy: -115.270
where: short stacking energy: -52.525
Base-Backbone interact. energy: 0.267
local terms energy: -56.822793
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -12.219
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: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -96.848159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.848159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.848159 (E_RNA)
where:
Base-Base interactions energy: -44.101
where: short stacking energy: -29.823
Base-Backbone interact. energy: 0.253
local terms energy: -53.000956
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -4.518
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: 395
Temperature: 1.250000
Total energy: -87.628414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.628414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.628414 (E_RNA)
where:
Base-Base interactions energy: -34.967
where: short stacking energy: -34.889
Base-Backbone interact. energy: 0.084
local terms energy: -52.746237
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -94.252789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.252789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.252789 (E_RNA)
where:
Base-Base interactions energy: -36.609
where: short stacking energy: -33.865
Base-Backbone interact. energy: -0.486
local terms energy: -57.158368
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -79.516496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.516496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.516496 (E_RNA)
where:
Base-Base interactions energy: -27.345
where: short stacking energy: -26.105
Base-Backbone interact. energy: 0.356
local terms energy: -52.527123
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -205.795902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.795902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.795902 (E_RNA)
where:
Base-Base interactions energy: -135.944
where: short stacking energy: -67.571
Base-Backbone interact. energy: -1.030
local terms energy: -68.822344
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -17.959
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: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -204.619432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.619432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.619432 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -66.288
Base-Backbone interact. energy: -0.007
local terms energy: -69.665471
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -10.117
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: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -202.365394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.365394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.365394 (E_RNA)
where:
Base-Base interactions energy: -129.939
where: short stacking energy: -73.332
Base-Backbone interact. energy: -0.052
local terms energy: -72.373713
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -193.301227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.301227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.301227 (E_RNA)
where:
Base-Base interactions energy: -120.460
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.001
local terms energy: -72.840562
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -17.695
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: 396
Temperature: 1.100000
Total energy: -185.529134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.529134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.529134 (E_RNA)
where:
Base-Base interactions energy: -123.676
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.044
local terms energy: -61.809079
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -168.503452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.503452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.503452 (E_RNA)
where:
Base-Base interactions energy: -112.606
where: short stacking energy: -48.875
Base-Backbone interact. energy: -0.112
local terms energy: -55.785316
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -99.056682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.056682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.056682 (E_RNA)
where:
Base-Base interactions energy: -40.476
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.055
local terms energy: -58.525910
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -81.762147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.762147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.762147 (E_RNA)
where:
Base-Base interactions energy: -34.212
where: short stacking energy: -31.829
Base-Backbone interact. energy: -0.251
local terms energy: -47.298706
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -77.168487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.168487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.168487 (E_RNA)
where:
Base-Base interactions energy: -39.790
where: short stacking energy: -38.157
Base-Backbone interact. energy: -0.024
local terms energy: -37.354809
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -95.193471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.193471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.193471 (E_RNA)
where:
Base-Base interactions energy: -51.681
where: short stacking energy: -43.084
Base-Backbone interact. energy: -0.487
local terms energy: -43.025017
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -9.032
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -208.199438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.199438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.199438 (E_RNA)
where:
Base-Base interactions energy: -135.999
where: short stacking energy: -67.198
Base-Backbone interact. energy: -1.398
local terms energy: -70.802057
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -15.613
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: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -207.625117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.625117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.625117 (E_RNA)
where:
Base-Base interactions energy: -132.994
where: short stacking energy: -59.823
Base-Backbone interact. energy: -0.347
local terms energy: -74.284583
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -217.048055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.048055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.048055 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -74.276
Base-Backbone interact. energy: -0.002
local terms energy: -79.727823
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -12.000
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: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -189.947804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.947804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.947804 (E_RNA)
where:
Base-Base interactions energy: -124.058
where: short stacking energy: -49.586
Base-Backbone interact. energy: -0.066
local terms energy: -65.824236
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -179.419328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.419328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.419328 (E_RNA)
where:
Base-Base interactions energy: -112.319
where: short stacking energy: -57.075
Base-Backbone interact. energy: -0.019
local terms energy: -67.081156
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -16.475
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: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -182.115315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.115315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.115315 (E_RNA)
where:
Base-Base interactions energy: -114.786
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.238
local terms energy: -67.091149
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -88.258348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.258348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.258348 (E_RNA)
where:
Base-Base interactions energy: -27.631
where: short stacking energy: -27.631
Base-Backbone interact. energy: -0.010
local terms energy: -60.617651
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -93.085163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085163 (E_RNA)
where:
Base-Base interactions energy: -40.131
where: short stacking energy: -38.768
Base-Backbone interact. energy: -0.011
local terms energy: -52.943325
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -77.516454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.516454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.516454 (E_RNA)
where:
Base-Base interactions energy: -38.373
where: short stacking energy: -30.198
Base-Backbone interact. energy: 2.359
local terms energy: -41.501527
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -82.683550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.683550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.683550 (E_RNA)
where:
Base-Base interactions energy: -26.639
where: short stacking energy: -26.639
Base-Backbone interact. energy: 0.677
local terms energy: -56.721092
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: 1.198
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: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -206.756373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.756373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.756373 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -66.082
Base-Backbone interact. energy: -0.098
local terms energy: -74.296719
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -10.041
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: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -201.501682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.501682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.501682 (E_RNA)
where:
Base-Base interactions energy: -124.536
where: short stacking energy: -57.490
Base-Backbone interact. energy: -0.068
local terms energy: -76.897779
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -205.982340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.982340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.982340 (E_RNA)
where:
Base-Base interactions energy: -131.042
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.056
local terms energy: -74.885032
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -20.679
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: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -179.572378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.572378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.572378 (E_RNA)
where:
Base-Base interactions energy: -108.276
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.705
local terms energy: -70.591770
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -12.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -159.240445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.240445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.240445 (E_RNA)
where:
Base-Base interactions energy: -103.588
where: short stacking energy: -43.123
Base-Backbone interact. energy: -0.328
local terms energy: -55.324362
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -8.287
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: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -185.950275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.950275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.950275 (E_RNA)
where:
Base-Base interactions energy: -116.917
where: short stacking energy: -53.241
Base-Backbone interact. energy: -0.026
local terms energy: -69.007813
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -84.951363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.951363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.951363 (E_RNA)
where:
Base-Base interactions energy: -34.776
where: short stacking energy: -34.776
Base-Backbone interact. energy: -0.278
local terms energy: -49.897126
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -93.054183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.054183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.054183 (E_RNA)
where:
Base-Base interactions energy: -40.203
where: short stacking energy: -40.203
Base-Backbone interact. energy: -0.345
local terms energy: -52.506594
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -82.175433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.175433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.175433 (E_RNA)
where:
Base-Base interactions energy: -35.894
where: short stacking energy: -34.549
Base-Backbone interact. energy: 1.131
local terms energy: -47.412393
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -5.261
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: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -98.514685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.514685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.514685 (E_RNA)
where:
Base-Base interactions energy: -53.344
where: short stacking energy: -33.066
Base-Backbone interact. energy: -0.155
local terms energy: -45.015970
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -7.996
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -209.295449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.295449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.295449 (E_RNA)
where:
Base-Base interactions energy: -135.702
where: short stacking energy: -70.816
Base-Backbone interact. energy: -0.192
local terms energy: -73.401478
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -209.709862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.709862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.709862 (E_RNA)
where:
Base-Base interactions energy: -135.883
where: short stacking energy: -70.725
Base-Backbone interact. energy: -0.513
local terms energy: -73.314167
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -204.613068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.613068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.613068 (E_RNA)
where:
Base-Base interactions energy: -132.047
where: short stacking energy: -64.951
Base-Backbone interact. energy: -0.826
local terms energy: -71.739430
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -180.936703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.936703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.936703 (E_RNA)
where:
Base-Base interactions energy: -116.348
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.527
local terms energy: -64.061445
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -186.439807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.439807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.439807 (E_RNA)
where:
Base-Base interactions energy: -123.005
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.084
local terms energy: -63.350782
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -177.772370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.772370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.772370 (E_RNA)
where:
Base-Base interactions energy: -114.546
where: short stacking energy: -50.084
Base-Backbone interact. energy: -0.189
local terms energy: -63.037392
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -9.141
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: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -92.909418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.909418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.909418 (E_RNA)
where:
Base-Base interactions energy: -42.236
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.219
local terms energy: -50.454595
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -118.132163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.132163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.132163 (E_RNA)
where:
Base-Base interactions energy: -60.908
where: short stacking energy: -35.661
Base-Backbone interact. energy: 0.310
local terms energy: -57.534354
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -9.570
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: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -80.306479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.306479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.306479 (E_RNA)
where:
Base-Base interactions energy: -28.041
where: short stacking energy: -20.628
Base-Backbone interact. energy: -0.329
local terms energy: -51.936678
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -79.712051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.712051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.712051 (E_RNA)
where:
Base-Base interactions energy: -29.492
where: short stacking energy: -23.034
Base-Backbone interact. energy: -0.167
local terms energy: -50.053135
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -218.144157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.144157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.144157 (E_RNA)
where:
Base-Base interactions energy: -139.191
where: short stacking energy: -78.674
Base-Backbone interact. energy: -0.019
local terms energy: -78.934683
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -203.736578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.736578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.736578 (E_RNA)
where:
Base-Base interactions energy: -129.011
where: short stacking energy: -60.260
Base-Backbone interact. energy: -0.024
local terms energy: -74.701844
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -15.780
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: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -180.814381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.814381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.814381 (E_RNA)
where:
Base-Base interactions energy: -114.608
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.041
local terms energy: -66.165224
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -12.240
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: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -202.156396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.156396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.156396 (E_RNA)
where:
Base-Base interactions energy: -130.665
where: short stacking energy: -62.051
Base-Backbone interact. energy: -0.007
local terms energy: -71.483634
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -185.969216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.969216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.969216 (E_RNA)
where:
Base-Base interactions energy: -123.320
where: short stacking energy: -60.678
Base-Backbone interact. energy: 0.031
local terms energy: -62.679736
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -13.835
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: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -152.222517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.222517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.222517 (E_RNA)
where:
Base-Base interactions energy: -94.117
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.061
local terms energy: -58.044662
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -9.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -85.407450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.407450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.407450 (E_RNA)
where:
Base-Base interactions energy: -36.946
where: short stacking energy: -27.727
Base-Backbone interact. energy: 1.812
local terms energy: -50.274043
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -88.663070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.663070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.663070 (E_RNA)
where:
Base-Base interactions energy: -37.546
where: short stacking energy: -36.598
Base-Backbone interact. energy: -0.000
local terms energy: -51.116933
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -7.972
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: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -85.626868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.626868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.626868 (E_RNA)
where:
Base-Base interactions energy: -28.454
where: short stacking energy: -24.053
Base-Backbone interact. energy: -0.017
local terms energy: -57.156418
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -6.063
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: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -88.992264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.992264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.992264 (E_RNA)
where:
Base-Base interactions energy: -36.655
where: short stacking energy: -30.934
Base-Backbone interact. energy: -0.047
local terms energy: -52.290658
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -3.829
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: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -221.468472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.468472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.468472 (E_RNA)
where:
Base-Base interactions energy: -139.354
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.077
local terms energy: -82.037978
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -21.027
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: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -203.476323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.476323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.476323 (E_RNA)
where:
Base-Base interactions energy: -127.845
where: short stacking energy: -64.454
Base-Backbone interact. energy: -2.193
local terms energy: -73.437837
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -14.012
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: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -193.518981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.518981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.518981 (E_RNA)
where:
Base-Base interactions energy: -121.596
where: short stacking energy: -54.598
Base-Backbone interact. energy: -0.379
local terms energy: -71.543371
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -17.086
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: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -194.695289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.695289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.695289 (E_RNA)
where:
Base-Base interactions energy: -125.547
where: short stacking energy: -59.984
Base-Backbone interact. energy: -0.601
local terms energy: -68.546815
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -168.594797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.594797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.594797 (E_RNA)
where:
Base-Base interactions energy: -107.439
where: short stacking energy: -52.859
Base-Backbone interact. energy: -0.534
local terms energy: -60.622244
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -162.285485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.285485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.285485 (E_RNA)
where:
Base-Base interactions energy: -104.560
where: short stacking energy: -43.994
Base-Backbone interact. energy: -0.018
local terms energy: -57.707696
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -10.772
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: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -99.286681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.286681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.286681 (E_RNA)
where:
Base-Base interactions energy: -42.077
where: short stacking energy: -38.162
Base-Backbone interact. energy: -0.421
local terms energy: -56.789530
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -91.362793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.362793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.362793 (E_RNA)
where:
Base-Base interactions energy: -42.178
where: short stacking energy: -39.793
Base-Backbone interact. energy: -0.265
local terms energy: -48.919761
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -73.906943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.906943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.906943 (E_RNA)
where:
Base-Base interactions energy: -26.272
where: short stacking energy: -26.272
Base-Backbone interact. energy: -0.034
local terms energy: -47.600768
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -0.282
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: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -79.229632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.229632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.229632 (E_RNA)
where:
Base-Base interactions energy: -29.435
where: short stacking energy: -25.980
Base-Backbone interact. energy: -0.012
local terms energy: -49.783290
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -214.740352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.740352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.740352 (E_RNA)
where:
Base-Base interactions energy: -144.600
where: short stacking energy: -76.262
Base-Backbone interact. energy: -0.004
local terms energy: -70.136557
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -23.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -203.744442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.744442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.744442 (E_RNA)
where:
Base-Base interactions energy: -128.829
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.004
local terms energy: -74.911227
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -20.473
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: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -192.921905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.921905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.921905 (E_RNA)
where:
Base-Base interactions energy: -125.151
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.001
local terms energy: -67.769811
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -6.105
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: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -198.168112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.168112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.168112 (E_RNA)
where:
Base-Base interactions energy: -124.436
where: short stacking energy: -63.744
Base-Backbone interact. energy: 0.484
local terms energy: -74.216497
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -186.974703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.974703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.974703 (E_RNA)
where:
Base-Base interactions energy: -119.299
where: short stacking energy: -54.802
Base-Backbone interact. energy: -0.049
local terms energy: -67.626182
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -11.315
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: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -159.647343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.647343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.647343 (E_RNA)
where:
Base-Base interactions energy: -111.721
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.127
local terms energy: -47.798882
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -100.954975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.954975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.954975 (E_RNA)
where:
Base-Base interactions energy: -42.580
where: short stacking energy: -42.580
Base-Backbone interact. energy: -0.031
local terms energy: -58.343678
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -85.991608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.991608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.991608 (E_RNA)
where:
Base-Base interactions energy: -29.208
where: short stacking energy: -29.137
Base-Backbone interact. energy: -0.126
local terms energy: -56.657650
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -94.951732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.951732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.951732 (E_RNA)
where:
Base-Base interactions energy: -41.630
where: short stacking energy: -37.755
Base-Backbone interact. energy: -0.088
local terms energy: -53.233814
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -2.499
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -72.228057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.228057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.228057 (E_RNA)
where:
Base-Base interactions energy: -23.239
where: short stacking energy: -20.107
Base-Backbone interact. energy: -0.072
local terms energy: -48.917497
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: 0.202
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: 1, replica: 6
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -220.516834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.516834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.516834 (E_RNA)
where:
Base-Base interactions energy: -139.216
where: short stacking energy: -73.274
Base-Backbone interact. energy: -0.615
local terms energy: -80.685631
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -20.373
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: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -193.780491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.780491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.780491 (E_RNA)
where:
Base-Base interactions energy: -125.549
where: short stacking energy: -56.447
Base-Backbone interact. energy: 0.698
local terms energy: -68.930049
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -192.285619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.285619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.285619 (E_RNA)
where:
Base-Base interactions energy: -120.041
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.003
local terms energy: -72.241319
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -6.871
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: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -189.463171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.463171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.463171 (E_RNA)
where:
Base-Base interactions energy: -123.068
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.029
local terms energy: -66.365551
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -199.064983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.064983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.064983 (E_RNA)
where:
Base-Base interactions energy: -132.735
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.019
local terms energy: -66.311197
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -177.152416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.152416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.152416 (E_RNA)
where:
Base-Base interactions energy: -121.672
where: short stacking energy: -52.632
Base-Backbone interact. energy: 1.801
local terms energy: -57.281360
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -93.970843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.970843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.970843 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.153
local terms energy: -56.739839
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -85.028702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028702 (E_RNA)
where:
Base-Base interactions energy: -42.218
where: short stacking energy: -29.670
Base-Backbone interact. energy: -0.489
local terms energy: -42.322024
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -8.661
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -79.987204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.987204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.987204 (E_RNA)
where:
Base-Base interactions energy: -27.192
where: short stacking energy: -24.720
Base-Backbone interact. energy: -0.031
local terms energy: -52.763364
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -77.399345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.399345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.399345 (E_RNA)
where:
Base-Base interactions energy: -27.375
where: short stacking energy: -27.375
Base-Backbone interact. energy: -0.068
local terms energy: -49.957241
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -8.087
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -8.045
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: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -201.437361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.437361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.437361 (E_RNA)
where:
Base-Base interactions energy: -131.253
where: short stacking energy: -66.311
Base-Backbone interact. energy: -0.154
local terms energy: -70.030410
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -17.019
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: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -211.983749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.983749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.983749 (E_RNA)
where:
Base-Base interactions energy: -135.371
where: short stacking energy: -73.488
Base-Backbone interact. energy: -0.043
local terms energy: -76.569381
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -19.562
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: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -191.581677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.581677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.581677 (E_RNA)
where:
Base-Base interactions energy: -126.197
where: short stacking energy: -57.700
Base-Backbone interact. energy: -0.096
local terms energy: -65.288634
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -206.229281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.229281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.229281 (E_RNA)
where:
Base-Base interactions energy: -135.013
where: short stacking energy: -54.964
Base-Backbone interact. energy: -0.117
local terms energy: -71.098977
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -186.507667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.507667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.507667 (E_RNA)
where:
Base-Base interactions energy: -120.848
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.132
local terms energy: -65.527590
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -8.942
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: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -180.386262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.386262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.386262 (E_RNA)
where:
Base-Base interactions energy: -112.415
where: short stacking energy: -52.099
Base-Backbone interact. energy: -0.001
local terms energy: -67.970078
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -8.603
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: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -103.427074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.427074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.427074 (E_RNA)
where:
Base-Base interactions energy: -52.627
where: short stacking energy: -32.719
Base-Backbone interact. energy: -0.283
local terms energy: -50.517281
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -94.059859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.059859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.059859 (E_RNA)
where:
Base-Base interactions energy: -33.142
where: short stacking energy: -32.773
Base-Backbone interact. energy: 0.591
local terms energy: -61.509449
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -78.058747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.058747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.058747 (E_RNA)
where:
Base-Base interactions energy: -28.081
where: short stacking energy: -26.857
Base-Backbone interact. energy: -0.121
local terms energy: -49.857241
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: 1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -85.750445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.750445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.750445 (E_RNA)
where:
Base-Base interactions energy: -45.269
where: short stacking energy: -45.269
Base-Backbone interact. energy: -0.015
local terms energy: -40.466902
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -6.205
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -205.228375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.228375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.228375 (E_RNA)
where:
Base-Base interactions energy: -134.444
where: short stacking energy: -66.440
Base-Backbone interact. energy: -0.002
local terms energy: -70.781970
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -207.504969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.504969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.504969 (E_RNA)
where:
Base-Base interactions energy: -131.355
where: short stacking energy: -66.319
Base-Backbone interact. energy: -0.086
local terms energy: -76.064202
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -196.300035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.300035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.300035 (E_RNA)
where:
Base-Base interactions energy: -120.456
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.088
local terms energy: -75.755969
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -195.678454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.678454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.678454 (E_RNA)
where:
Base-Base interactions energy: -125.723
where: short stacking energy: -59.518
Base-Backbone interact. energy: -0.250
local terms energy: -69.705340
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -187.922273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.922273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.922273 (E_RNA)
where:
Base-Base interactions energy: -122.019
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.099
local terms energy: -65.803822
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -188.448640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.448640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448640 (E_RNA)
where:
Base-Base interactions energy: -124.843
where: short stacking energy: -56.772
Base-Backbone interact. energy: -0.010
local terms energy: -63.596020
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -91.915105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.915105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.915105 (E_RNA)
where:
Base-Base interactions energy: -31.723
where: short stacking energy: -27.362
Base-Backbone interact. energy: -0.182
local terms energy: -60.009796
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -3.590
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: 405
Temperature: 1.250000
Total energy: -87.271590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.271590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.271590 (E_RNA)
where:
Base-Base interactions energy: -42.202
where: short stacking energy: -37.505
Base-Backbone interact. energy: -0.022
local terms energy: -45.047778
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -77.419629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.419629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.419629 (E_RNA)
where:
Base-Base interactions energy: -33.393
where: short stacking energy: -33.393
Base-Backbone interact. energy: -0.262
local terms energy: -43.764985
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: 2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -71.106627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.106627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.106627 (E_RNA)
where:
Base-Base interactions energy: -22.922
where: short stacking energy: -22.565
Base-Backbone interact. energy: -0.386
local terms energy: -47.798634
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -5.512
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: 1, replica: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -211.913787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.913787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.913787 (E_RNA)
where:
Base-Base interactions energy: -136.014
where: short stacking energy: -71.692
Base-Backbone interact. energy: -0.079
local terms energy: -75.820478
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -19.192
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: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -204.428028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.428028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.428028 (E_RNA)
where:
Base-Base interactions energy: -135.976
where: short stacking energy: -67.259
Base-Backbone interact. energy: -0.177
local terms energy: -68.275287
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -17.350
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: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -201.677656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.677656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.677656 (E_RNA)
where:
Base-Base interactions energy: -127.501
where: short stacking energy: -57.468
Base-Backbone interact. energy: -0.836
local terms energy: -73.340831
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -13.163
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: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -187.024126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.024126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.024126 (E_RNA)
where:
Base-Base interactions energy: -117.193
where: short stacking energy: -61.076
Base-Backbone interact. energy: -1.118
local terms energy: -68.713044
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -174.947088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.947088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.947088 (E_RNA)
where:
Base-Base interactions energy: -106.717
where: short stacking energy: -47.488
Base-Backbone interact. energy: -0.169
local terms energy: -68.061421
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -13.388
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: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -182.780023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.780023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.780023 (E_RNA)
where:
Base-Base interactions energy: -115.423
where: short stacking energy: -52.135
Base-Backbone interact. energy: -0.003
local terms energy: -67.353612
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -96.666906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.666906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.666906 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -25.488
Base-Backbone interact. energy: -0.167
local terms energy: -60.840063
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -98.407272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.407272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.407272 (E_RNA)
where:
Base-Base interactions energy: -37.961
where: short stacking energy: -37.961
Base-Backbone interact. energy: -0.081
local terms energy: -60.364734
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -11.748
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: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -77.921050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.921050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.921050 (E_RNA)
where:
Base-Base interactions energy: -24.085
where: short stacking energy: -19.576
Base-Backbone interact. energy: -1.217
local terms energy: -52.619001
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -91.419358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.419358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.419358 (E_RNA)
where:
Base-Base interactions energy: -41.694
where: short stacking energy: -21.905
Base-Backbone interact. energy: -0.147
local terms energy: -49.578388
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -9.374
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -6.090
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: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -219.913095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.913095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.913095 (E_RNA)
where:
Base-Base interactions energy: -138.650
where: short stacking energy: -72.605
Base-Backbone interact. energy: -0.178
local terms energy: -81.085090
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -202.749297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.749297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.749297 (E_RNA)
where:
Base-Base interactions energy: -134.073
where: short stacking energy: -66.563
Base-Backbone interact. energy: -0.569
local terms energy: -68.107517
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -19.789
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: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -200.117794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.117794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.117794 (E_RNA)
where:
Base-Base interactions energy: -120.922
where: short stacking energy: -69.108
Base-Backbone interact. energy: -0.147
local terms energy: -79.048760
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -190.330103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.330103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.330103 (E_RNA)
where:
Base-Base interactions energy: -116.742
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.595
local terms energy: -72.993259
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -187.496877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.496877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.496877 (E_RNA)
where:
Base-Base interactions energy: -120.701
where: short stacking energy: -53.994
Base-Backbone interact. energy: -0.050
local terms energy: -66.746556
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -15.298
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: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -168.344452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.344452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.344452 (E_RNA)
where:
Base-Base interactions energy: -107.769
where: short stacking energy: -47.696
Base-Backbone interact. energy: -0.055
local terms energy: -60.520426
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -84.726105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.726105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.726105 (E_RNA)
where:
Base-Base interactions energy: -38.501
where: short stacking energy: -38.501
Base-Backbone interact. energy: -0.137
local terms energy: -46.087370
where:
bonds (distance) C4'-P energy: -7.288
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -4.010
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: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -80.189681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.189681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.189681 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -22.798
Base-Backbone interact. energy: -0.503
local terms energy: -52.406158
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -83.715315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.715315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.715315 (E_RNA)
where:
Base-Base interactions energy: -32.321
where: short stacking energy: -22.016
Base-Backbone interact. energy: -0.303
local terms energy: -51.090757
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -84.358978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358978 (E_RNA)
where:
Base-Base interactions energy: -44.372
where: short stacking energy: -21.677
Base-Backbone interact. energy: 0.879
local terms energy: -40.865497
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: 0.629
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: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -212.729685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.729685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.729685 (E_RNA)
where:
Base-Base interactions energy: -140.486
where: short stacking energy: -70.482
Base-Backbone interact. energy: -1.071
local terms energy: -71.172857
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -207.106923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.106923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.106923 (E_RNA)
where:
Base-Base interactions energy: -136.149
where: short stacking energy: -73.208
Base-Backbone interact. energy: -0.029
local terms energy: -70.928671
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -198.096057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.096057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.096057 (E_RNA)
where:
Base-Base interactions energy: -127.835
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.725
local terms energy: -69.536717
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -18.082
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: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -192.210412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.210412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.210412 (E_RNA)
where:
Base-Base interactions energy: -124.058
where: short stacking energy: -62.729
Base-Backbone interact. energy: -0.017
local terms energy: -68.135474
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -17.688
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: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -180.161263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.161263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.161263 (E_RNA)
where:
Base-Base interactions energy: -121.253
where: short stacking energy: -52.990
Base-Backbone interact. energy: 0.273
local terms energy: -59.181678
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -6.197
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: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -179.558533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.558533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.558533 (E_RNA)
where:
Base-Base interactions energy: -111.263
where: short stacking energy: -53.366
Base-Backbone interact. energy: -0.262
local terms energy: -68.033771
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -89.609287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.609287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.609287 (E_RNA)
where:
Base-Base interactions energy: -40.145
where: short stacking energy: -35.960
Base-Backbone interact. energy: -0.307
local terms energy: -49.157485
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.234
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: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -83.155244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.155244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.155244 (E_RNA)
where:
Base-Base interactions energy: -24.772
where: short stacking energy: -23.220
Base-Backbone interact. energy: -0.067
local terms energy: -58.316483
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -8.974
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: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -74.204401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.204401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.204401 (E_RNA)
where:
Base-Base interactions energy: -30.927
where: short stacking energy: -25.219
Base-Backbone interact. energy: -0.114
local terms energy: -43.163258
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -75.909172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.909172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.909172 (E_RNA)
where:
Base-Base interactions energy: -39.117
where: short stacking energy: -27.363
Base-Backbone interact. energy: -0.537
local terms energy: -36.255651
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -5.098
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -3.591
tors. eta vs tors. theta energy: 0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -209.597484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.597484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.597484 (E_RNA)
where:
Base-Base interactions energy: -132.240
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.007
local terms energy: -77.351004
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -19.373
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: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -200.919817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.919817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.919817 (E_RNA)
where:
Base-Base interactions energy: -127.081
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.277
local terms energy: -73.562226
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -17.382
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: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -210.277994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.277994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.277994 (E_RNA)
where:
Base-Base interactions energy: -134.473
where: short stacking energy: -65.650
Base-Backbone interact. energy: -0.758
local terms energy: -75.046516
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -185.822667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.822667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.822667 (E_RNA)
where:
Base-Base interactions energy: -122.017
where: short stacking energy: -52.787
Base-Backbone interact. energy: -0.069
local terms energy: -63.736632
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -13.023
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: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -187.047687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.047687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.047687 (E_RNA)
where:
Base-Base interactions energy: -123.297
where: short stacking energy: -56.651
Base-Backbone interact. energy: 1.773
local terms energy: -65.523419
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -161.606233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.606233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.606233 (E_RNA)
where:
Base-Base interactions energy: -95.884
where: short stacking energy: -36.010
Base-Backbone interact. energy: -0.271
local terms energy: -65.451834
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -81.561675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561675 (E_RNA)
where:
Base-Base interactions energy: -37.111
where: short stacking energy: -37.111
Base-Backbone interact. energy: -0.241
local terms energy: -44.210157
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -0.840
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -91.342988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.342988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.342988 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -33.245
Base-Backbone interact. energy: -0.027
local terms energy: -56.856488
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -2.551
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: 409
Temperature: 1.300000
Total energy: -79.566359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.566359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.566359 (E_RNA)
where:
Base-Base interactions energy: -31.241
where: short stacking energy: -30.228
Base-Backbone interact. energy: -0.529
local terms energy: -47.796161
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: 0.460
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: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -76.446336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.446336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.446336 (E_RNA)
where:
Base-Base interactions energy: -27.561
where: short stacking energy: -26.232
Base-Backbone interact. energy: -0.144
local terms energy: -48.741124
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -200.489871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.489871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.489871 (E_RNA)
where:
Base-Base interactions energy: -133.125
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.090
local terms energy: -67.274845
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -211.926117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.926117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.926117 (E_RNA)
where:
Base-Base interactions energy: -135.736
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.078
local terms energy: -76.111894
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -16.940
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: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -195.938203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.938203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.938203 (E_RNA)
where:
Base-Base interactions energy: -124.209
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.017
local terms energy: -71.712401
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -198.185238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.185238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.185238 (E_RNA)
where:
Base-Base interactions energy: -132.242
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.122
local terms energy: -65.820887
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -16.074
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: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -191.145643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.145643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.145643 (E_RNA)
where:
Base-Base interactions energy: -123.097
where: short stacking energy: -52.994
Base-Backbone interact. energy: 1.535
local terms energy: -69.583528
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -158.182307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.182307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.182307 (E_RNA)
where:
Base-Base interactions energy: -98.855
where: short stacking energy: -48.958
Base-Backbone interact. energy: -0.196
local terms energy: -59.131656
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -95.543319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.543319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.543319 (E_RNA)
where:
Base-Base interactions energy: -35.849
where: short stacking energy: -36.410
Base-Backbone interact. energy: -1.261
local terms energy: -58.433002
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -85.464702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.464702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.464702 (E_RNA)
where:
Base-Base interactions energy: -28.648
where: short stacking energy: -27.485
Base-Backbone interact. energy: -1.011
local terms energy: -55.806189
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -11.258
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -2.907
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: 410
Temperature: 1.300000
Total energy: -82.678456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.678456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.678456 (E_RNA)
where:
Base-Base interactions energy: -28.773
where: short stacking energy: -25.396
Base-Backbone interact. energy: -0.305
local terms energy: -53.600517
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -77.297815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.297815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.297815 (E_RNA)
where:
Base-Base interactions energy: -31.663
where: short stacking energy: -31.683
Base-Backbone interact. energy: -0.140
local terms energy: -45.495543
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -10.281
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -209.761719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.761719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.761719 (E_RNA)
where:
Base-Base interactions energy: -135.674
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.008
local terms energy: -74.080138
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -210.062000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.062000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.062000 (E_RNA)
where:
Base-Base interactions energy: -136.697
where: short stacking energy: -62.504
Base-Backbone interact. energy: -0.551
local terms energy: -72.813911
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -20.233
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: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -199.076500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.076500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.076500 (E_RNA)
where:
Base-Base interactions energy: -125.515
where: short stacking energy: -59.849
Base-Backbone interact. energy: -0.101
local terms energy: -73.460700
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -18.686
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -189.910684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.910684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.910684 (E_RNA)
where:
Base-Base interactions energy: -126.204
where: short stacking energy: -59.086
Base-Backbone interact. energy: -0.342
local terms energy: -63.364880
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -203.385575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.385575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.385575 (E_RNA)
where:
Base-Base interactions energy: -130.739
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.476
local terms energy: -72.170819
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -168.700715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.700715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.700715 (E_RNA)
where:
Base-Base interactions energy: -107.989
where: short stacking energy: -45.720
Base-Backbone interact. energy: -0.030
local terms energy: -60.682297
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -96.938921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.938921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.938921 (E_RNA)
where:
Base-Base interactions energy: -40.458
where: short stacking energy: -39.992
Base-Backbone interact. energy: -0.113
local terms energy: -56.368230
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -83.025600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.025600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.025600 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.322
local terms energy: -50.275017
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: 0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -81.510884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.510884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.510884 (E_RNA)
where:
Base-Base interactions energy: -26.920
where: short stacking energy: -25.868
Base-Backbone interact. energy: -0.063
local terms energy: -54.527978
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -77.206113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.206113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.206113 (E_RNA)
where:
Base-Base interactions energy: -31.381
where: short stacking energy: -24.086
Base-Backbone interact. energy: -0.860
local terms energy: -44.965366
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -217.656400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.656400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.656400 (E_RNA)
where:
Base-Base interactions energy: -139.957
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.001
local terms energy: -77.698854
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -206.146058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.146058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.146058 (E_RNA)
where:
Base-Base interactions energy: -129.542
where: short stacking energy: -63.236
Base-Backbone interact. energy: -0.828
local terms energy: -75.775737
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -204.457601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.457601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.457601 (E_RNA)
where:
Base-Base interactions energy: -130.054
where: short stacking energy: -68.544
Base-Backbone interact. energy: -0.586
local terms energy: -73.817650
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -204.702752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.702752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.702752 (E_RNA)
where:
Base-Base interactions energy: -133.453
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.268
local terms energy: -70.982153
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -16.538
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: 412
Temperature: 1.100000
Total energy: -195.544378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.544378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.544378 (E_RNA)
where:
Base-Base interactions energy: -131.650
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.006
local terms energy: -63.887859
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -182.662107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.662107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.662107 (E_RNA)
where:
Base-Base interactions energy: -120.363
where: short stacking energy: -53.015
Base-Backbone interact. energy: -0.003
local terms energy: -62.295511
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -100.520951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.520951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.520951 (E_RNA)
where:
Base-Base interactions energy: -43.971
where: short stacking energy: -43.971
Base-Backbone interact. energy: -0.015
local terms energy: -56.535544
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -94.982313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.982313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.982313 (E_RNA)
where:
Base-Base interactions energy: -40.174
where: short stacking energy: -40.174
Base-Backbone interact. energy: -0.373
local terms energy: -54.434919
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -5.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -77.523186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.523186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.523186 (E_RNA)
where:
Base-Base interactions energy: -26.719
where: short stacking energy: -26.719
Base-Backbone interact. energy: -0.045
local terms energy: -50.758973
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -86.540364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.540364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.540364 (E_RNA)
where:
Base-Base interactions energy: -36.957
where: short stacking energy: -26.694
Base-Backbone interact. energy: -0.179
local terms energy: -49.403711
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -7.800
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -6.526
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: 10
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -205.155673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.155673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.155673 (E_RNA)
where:
Base-Base interactions energy: -139.022
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.582
local terms energy: -65.551512
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -207.505545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.505545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.505545 (E_RNA)
where:
Base-Base interactions energy: -133.468
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.692
local terms energy: -73.346259
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -11.968
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: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -203.604745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.604745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.604745 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -56.574
Base-Backbone interact. energy: -0.006
local terms energy: -75.778954
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -16.659
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: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -204.413141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.413141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.413141 (E_RNA)
where:
Base-Base interactions energy: -132.780
where: short stacking energy: -72.959
Base-Backbone interact. energy: -0.319
local terms energy: -71.314062
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -189.920771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.920771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.920771 (E_RNA)
where:
Base-Base interactions energy: -120.761
where: short stacking energy: -56.703
Base-Backbone interact. energy: -0.193
local terms energy: -68.966130
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -16.200
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: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -177.208566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.208566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.208566 (E_RNA)
where:
Base-Base interactions energy: -107.053
where: short stacking energy: -49.261
Base-Backbone interact. energy: -0.057
local terms energy: -70.098793
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -100.035356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.035356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.035356 (E_RNA)
where:
Base-Base interactions energy: -45.986
where: short stacking energy: -43.804
Base-Backbone interact. energy: -0.054
local terms energy: -53.995318
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -6.947
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -12.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -89.791286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.791286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.791286 (E_RNA)
where:
Base-Base interactions energy: -38.584
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.011
local terms energy: -51.196249
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -5.555
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: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -79.533129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.533129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.533129 (E_RNA)
where:
Base-Base interactions energy: -30.796
where: short stacking energy: -28.838
Base-Backbone interact. energy: -0.347
local terms energy: -48.389875
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -4.733
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: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -69.448270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.448270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.448270 (E_RNA)
where:
Base-Base interactions energy: -24.478
where: short stacking energy: -22.301
Base-Backbone interact. energy: 0.355
local terms energy: -45.325415
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -207.755578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.755578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.755578 (E_RNA)
where:
Base-Base interactions energy: -130.109
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.175
local terms energy: -77.471242
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -19.024
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: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -205.773057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.773057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.773057 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -61.211
Base-Backbone interact. energy: -0.069
local terms energy: -69.841487
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -19.410
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: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -198.906559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.906559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.906559 (E_RNA)
where:
Base-Base interactions energy: -123.317
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.809
local terms energy: -74.780732
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -17.261
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: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -194.459200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.459200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.459200 (E_RNA)
where:
Base-Base interactions energy: -126.423
where: short stacking energy: -60.410
Base-Backbone interact. energy: 1.322
local terms energy: -69.358704
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -178.015769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.015769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.015769 (E_RNA)
where:
Base-Base interactions energy: -113.940
where: short stacking energy: -55.618
Base-Backbone interact. energy: -0.082
local terms energy: -63.993156
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -12.530
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: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -147.130885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.130885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.130885 (E_RNA)
where:
Base-Base interactions energy: -99.392
where: short stacking energy: -48.532
Base-Backbone interact. energy: -0.319
local terms energy: -47.420314
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -8.960
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -10.399
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: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -83.235129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.235129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.235129 (E_RNA)
where:
Base-Base interactions energy: -30.784
where: short stacking energy: -30.784
Base-Backbone interact. energy: -0.667
local terms energy: -51.783730
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -3.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -95.873233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.873233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.873233 (E_RNA)
where:
Base-Base interactions energy: -42.158
where: short stacking energy: -42.158
Base-Backbone interact. energy: -0.121
local terms energy: -53.593833
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -2.907
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: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -75.379605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.379605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.379605 (E_RNA)
where:
Base-Base interactions energy: -23.327
where: short stacking energy: -20.787
Base-Backbone interact. energy: 0.554
local terms energy: -52.606709
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -76.692243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.692243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.692243 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -35.592
Base-Backbone interact. energy: -0.108
local terms energy: -40.959901
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -1.225
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: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -210.343067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.343067 (E_RNA)
where:
Base-Base interactions energy: -133.330
where: short stacking energy: -69.267
Base-Backbone interact. energy: -0.034
local terms energy: -76.979055
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -212.328843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.328843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.328843 (E_RNA)
where:
Base-Base interactions energy: -136.950
where: short stacking energy: -73.071
Base-Backbone interact. energy: -0.225
local terms energy: -75.154305
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -195.219574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.219574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.219574 (E_RNA)
where:
Base-Base interactions energy: -121.527
where: short stacking energy: -58.323
Base-Backbone interact. energy: -0.748
local terms energy: -72.944762
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -18.913
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: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -192.833599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.833599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.833599 (E_RNA)
where:
Base-Base interactions energy: -121.224
where: short stacking energy: -60.745
Base-Backbone interact. energy: 1.093
local terms energy: -72.703225
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -19.371
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: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -185.729715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.729715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.729715 (E_RNA)
where:
Base-Base interactions energy: -117.646
where: short stacking energy: -49.297
Base-Backbone interact. energy: -0.014
local terms energy: -68.070477
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -153.365707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.365707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.365707 (E_RNA)
where:
Base-Base interactions energy: -98.102
where: short stacking energy: -43.174
Base-Backbone interact. energy: -0.141
local terms energy: -55.122797
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -7.914
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: 415
Temperature: 1.200000
Total energy: -87.337644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.337644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.337644 (E_RNA)
where:
Base-Base interactions energy: -38.045
where: short stacking energy: -35.640
Base-Backbone interact. energy: -0.368
local terms energy: -48.925315
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -1.368
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: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -85.457578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.457578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.457578 (E_RNA)
where:
Base-Base interactions energy: -30.425
where: short stacking energy: -29.505
Base-Backbone interact. energy: -0.142
local terms energy: -54.889957
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -82.421802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.421802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.421802 (E_RNA)
where:
Base-Base interactions energy: -36.635
where: short stacking energy: -36.735
Base-Backbone interact. energy: 1.355
local terms energy: -47.141714
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -85.884191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.884191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.884191 (E_RNA)
where:
Base-Base interactions energy: -31.794
where: short stacking energy: -28.287
Base-Backbone interact. energy: -0.064
local terms energy: -54.025893
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -205.675900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.675900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.675900 (E_RNA)
where:
Base-Base interactions energy: -129.316
where: short stacking energy: -67.429
Base-Backbone interact. energy: -0.000
local terms energy: -76.359279
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -192.201126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.201126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.201126 (E_RNA)
where:
Base-Base interactions energy: -119.616
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.139
local terms energy: -72.446547
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -199.971623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.971623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.971623 (E_RNA)
where:
Base-Base interactions energy: -130.113
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.012
local terms energy: -69.847331
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -18.871
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: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -193.799620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.799620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.799620 (E_RNA)
where:
Base-Base interactions energy: -130.592
where: short stacking energy: -62.979
Base-Backbone interact. energy: 0.036
local terms energy: -63.243123
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -13.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -185.396798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.396798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.396798 (E_RNA)
where:
Base-Base interactions energy: -116.465
where: short stacking energy: -59.596
Base-Backbone interact. energy: -0.069
local terms energy: -68.862628
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -10.507
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: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -157.617610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.617610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.617610 (E_RNA)
where:
Base-Base interactions energy: -99.960
where: short stacking energy: -48.955
Base-Backbone interact. energy: -0.691
local terms energy: -56.966186
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -90.058732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.058732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.058732 (E_RNA)
where:
Base-Base interactions energy: -43.959
where: short stacking energy: -37.444
Base-Backbone interact. energy: -0.128
local terms energy: -45.971121
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -90.881415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.881415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.881415 (E_RNA)
where:
Base-Base interactions energy: -36.386
where: short stacking energy: -34.466
Base-Backbone interact. energy: -0.111
local terms energy: -54.384827
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -3.462
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: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -79.541587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.541587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.541587 (E_RNA)
where:
Base-Base interactions energy: -32.182
where: short stacking energy: -25.668
Base-Backbone interact. energy: -0.083
local terms energy: -47.276235
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -73.558297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.558297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.558297 (E_RNA)
where:
Base-Base interactions energy: -25.903
where: short stacking energy: -25.903
Base-Backbone interact. energy: -0.228
local terms energy: -47.427197
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -3.253
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: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -202.707041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.707041 (E_RNA)
where:
Base-Base interactions energy: -133.223
where: short stacking energy: -71.724
Base-Backbone interact. energy: -0.165
local terms energy: -69.319024
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -203.235960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.235960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.235960 (E_RNA)
where:
Base-Base interactions energy: -133.895
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.008
local terms energy: -69.333531
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -14.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -204.345524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.345524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.345524 (E_RNA)
where:
Base-Base interactions energy: -134.962
where: short stacking energy: -57.388
Base-Backbone interact. energy: -0.993
local terms energy: -68.390168
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -195.482035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.482035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.482035 (E_RNA)
where:
Base-Base interactions energy: -126.559
where: short stacking energy: -59.244
Base-Backbone interact. energy: -0.066
local terms energy: -68.856730
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -18.413
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: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -190.033115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.033115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.033115 (E_RNA)
where:
Base-Base interactions energy: -121.688
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.185
local terms energy: -68.160898
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -169.780136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.780136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.780136 (E_RNA)
where:
Base-Base interactions energy: -107.284
where: short stacking energy: -51.683
Base-Backbone interact. energy: -0.019
local terms energy: -62.477629
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -86.154359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.154359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.154359 (E_RNA)
where:
Base-Base interactions energy: -27.501
where: short stacking energy: -27.501
Base-Backbone interact. energy: -0.001
local terms energy: -58.651678
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -91.846146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.846146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.846146 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -38.767
Base-Backbone interact. energy: -0.209
local terms energy: -52.870021
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -6.192
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -82.286673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.286673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.286673 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.278
local terms energy: -47.271987
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -80.346227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.346227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.346227 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -28.720
Base-Backbone interact. energy: -0.018
local terms energy: -49.921450
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -213.553167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.553167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.553167 (E_RNA)
where:
Base-Base interactions energy: -133.911
where: short stacking energy: -64.678
Base-Backbone interact. energy: 0.689
local terms energy: -80.331358
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -211.202842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.202842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.202842 (E_RNA)
where:
Base-Base interactions energy: -139.165
where: short stacking energy: -71.259
Base-Backbone interact. energy: -0.128
local terms energy: -71.910037
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -20.620
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: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -203.233232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.233232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.233232 (E_RNA)
where:
Base-Base interactions energy: -131.058
where: short stacking energy: -64.799
Base-Backbone interact. energy: 0.284
local terms energy: -72.459166
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -182.188447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.188447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.188447 (E_RNA)
where:
Base-Base interactions energy: -123.806
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.152
local terms energy: -58.230084
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -188.927763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.927763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.927763 (E_RNA)
where:
Base-Base interactions energy: -124.711
where: short stacking energy: -57.846
Base-Backbone interact. energy: -0.136
local terms energy: -64.080775
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -8.263
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -162.473503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.473503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.473503 (E_RNA)
where:
Base-Base interactions energy: -119.155
where: short stacking energy: -53.273
Base-Backbone interact. energy: -0.172
local terms energy: -43.145714
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -7.578
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -96.256892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.256892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.256892 (E_RNA)
where:
Base-Base interactions energy: -43.072
where: short stacking energy: -39.007
Base-Backbone interact. energy: -0.442
local terms energy: -52.742721
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -7.314
flat angles C4'-P-C4' energy: -7.650
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -88.047691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047691 (E_RNA)
where:
Base-Base interactions energy: -35.275
where: short stacking energy: -35.275
Base-Backbone interact. energy: -0.222
local terms energy: -52.550303
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -115.280600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.280600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.280600 (E_RNA)
where:
Base-Base interactions energy: -64.753
where: short stacking energy: -38.457
Base-Backbone interact. energy: -0.010
local terms energy: -50.517088
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -8.646
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -82.337030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.337030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.337030 (E_RNA)
where:
Base-Base interactions energy: -45.582
where: short stacking energy: -33.496
Base-Backbone interact. energy: 0.795
local terms energy: -37.549583
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -8.465
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -2.196
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -201.764575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.764575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.764575 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.466
local terms energy: -64.994754
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -206.688995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.688995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.688995 (E_RNA)
where:
Base-Base interactions energy: -132.607
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.276
local terms energy: -73.805303
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -212.450379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.450379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.450379 (E_RNA)
where:
Base-Base interactions energy: -136.986
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.522
local terms energy: -74.942340
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -18.777
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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -206.121759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.121759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.121759 (E_RNA)
where:
Base-Base interactions energy: -138.487
where: short stacking energy: -62.243
Base-Backbone interact. energy: 2.405
local terms energy: -70.039366
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -190.858496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.858496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.858496 (E_RNA)
where:
Base-Base interactions energy: -124.920
where: short stacking energy: -62.547
Base-Backbone interact. energy: -0.136
local terms energy: -65.802379
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -168.106774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.106774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.106774 (E_RNA)
where:
Base-Base interactions energy: -108.731
where: short stacking energy: -37.611
Base-Backbone interact. energy: -0.338
local terms energy: -59.038078
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -7.740
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: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -90.348458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.348458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.348458 (E_RNA)
where:
Base-Base interactions energy: -36.017
where: short stacking energy: -36.017
Base-Backbone interact. energy: -0.676
local terms energy: -53.655050
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -89.038281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.038281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.038281 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -32.925
Base-Backbone interact. energy: -0.158
local terms energy: -54.022671
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -75.938617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.938617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.938617 (E_RNA)
where:
Base-Base interactions energy: -28.654
where: short stacking energy: -25.611
Base-Backbone interact. energy: -0.232
local terms energy: -47.052803
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: 1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -77.371788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.371788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.371788 (E_RNA)
where:
Base-Base interactions energy: -24.839
where: short stacking energy: -24.839
Base-Backbone interact. energy: -0.161
local terms energy: -52.372182
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -1.213
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: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -209.604588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.604588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604588 (E_RNA)
where:
Base-Base interactions energy: -134.421
where: short stacking energy: -68.372
Base-Backbone interact. energy: -0.101
local terms energy: -75.082458
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -200.015560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.015560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.015560 (E_RNA)
where:
Base-Base interactions energy: -131.185
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.864
local terms energy: -67.967069
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -201.998639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.998639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.998639 (E_RNA)
where:
Base-Base interactions energy: -134.082
where: short stacking energy: -63.284
Base-Backbone interact. energy: -0.757
local terms energy: -67.159831
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -201.588110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.588110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.588110 (E_RNA)
where:
Base-Base interactions energy: -133.042
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.124
local terms energy: -68.421380
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -17.832
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: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -189.897489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.897489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.897489 (E_RNA)
where:
Base-Base interactions energy: -123.716
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.347
local terms energy: -65.834865
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -11.745
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: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -185.008517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.008517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.008517 (E_RNA)
where:
Base-Base interactions energy: -115.926
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.162
local terms energy: -68.920422
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -94.774243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.774243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.774243 (E_RNA)
where:
Base-Base interactions energy: -34.903
where: short stacking energy: -30.876
Base-Backbone interact. energy: 0.856
local terms energy: -60.727420
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -91.402542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.402542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.402542 (E_RNA)
where:
Base-Base interactions energy: -44.260
where: short stacking energy: -42.360
Base-Backbone interact. energy: 2.325
local terms energy: -49.467213
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -75.221942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.221942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.221942 (E_RNA)
where:
Base-Base interactions energy: -25.983
where: short stacking energy: -25.172
Base-Backbone interact. energy: 0.574
local terms energy: -49.812462
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: 0.911
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: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -80.393855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.393855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.393855 (E_RNA)
where:
Base-Base interactions energy: -29.374
where: short stacking energy: -26.256
Base-Backbone interact. energy: -0.504
local terms energy: -50.515969
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -0.280
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: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -213.976539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.976539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.976539 (E_RNA)
where:
Base-Base interactions energy: -136.150
where: short stacking energy: -74.104
Base-Backbone interact. energy: -0.397
local terms energy: -77.428987
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -213.734421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.734421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.734421 (E_RNA)
where:
Base-Base interactions energy: -141.335
where: short stacking energy: -71.018
Base-Backbone interact. energy: -0.002
local terms energy: -72.397795
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -196.208672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.208672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.208672 (E_RNA)
where:
Base-Base interactions energy: -124.658
where: short stacking energy: -56.193
Base-Backbone interact. energy: -0.164
local terms energy: -71.386723
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -202.755963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.755963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.755963 (E_RNA)
where:
Base-Base interactions energy: -129.354
where: short stacking energy: -66.363
Base-Backbone interact. energy: -0.036
local terms energy: -73.366399
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -19.093
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: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -184.863228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.863228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.863228 (E_RNA)
where:
Base-Base interactions energy: -121.201
where: short stacking energy: -54.261
Base-Backbone interact. energy: -0.195
local terms energy: -63.467162
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -11.745
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: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -182.769682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.769682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.769682 (E_RNA)
where:
Base-Base interactions energy: -115.996
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.249
local terms energy: -66.524667
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -96.090972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.090972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.090972 (E_RNA)
where:
Base-Base interactions energy: -42.572
where: short stacking energy: -29.632
Base-Backbone interact. energy: -0.069
local terms energy: -53.450418
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -88.969484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.969484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.969484 (E_RNA)
where:
Base-Base interactions energy: -33.946
where: short stacking energy: -32.164
Base-Backbone interact. energy: 1.917
local terms energy: -56.940825
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -93.352438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.352438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.352438 (E_RNA)
where:
Base-Base interactions energy: -43.014
where: short stacking energy: -29.591
Base-Backbone interact. energy: -0.082
local terms energy: -50.256544
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -7.089
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -90.523117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.523117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.523117 (E_RNA)
where:
Base-Base interactions energy: -40.273
where: short stacking energy: -19.071
Base-Backbone interact. energy: 1.027
local terms energy: -51.276602
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -0.822
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: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -212.392112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.392112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.392112 (E_RNA)
where:
Base-Base interactions energy: -138.320
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.742
local terms energy: -73.329830
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -207.374014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.374014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.374014 (E_RNA)
where:
Base-Base interactions energy: -130.906
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.000
local terms energy: -76.467672
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -191.819199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.819199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.819199 (E_RNA)
where:
Base-Base interactions energy: -123.243
where: short stacking energy: -66.141
Base-Backbone interact. energy: -0.114
local terms energy: -68.462214
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -175.891507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.891507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.891507 (E_RNA)
where:
Base-Base interactions energy: -111.957
where: short stacking energy: -42.232
Base-Backbone interact. energy: 0.007
local terms energy: -63.941412
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -185.599072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.599072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.599072 (E_RNA)
where:
Base-Base interactions energy: -123.051
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.091
local terms energy: -62.457139
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -6.446
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: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -175.626069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.626069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.626069 (E_RNA)
where:
Base-Base interactions energy: -114.201
where: short stacking energy: -51.377
Base-Backbone interact. energy: -0.023
local terms energy: -61.402100
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -89.816579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.816579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.816579 (E_RNA)
where:
Base-Base interactions energy: -40.924
where: short stacking energy: -23.064
Base-Backbone interact. energy: -0.172
local terms energy: -48.720841
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -92.428419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428419 (E_RNA)
where:
Base-Base interactions energy: -39.273
where: short stacking energy: -38.282
Base-Backbone interact. energy: -0.057
local terms energy: -53.098453
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -3.462
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: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -76.872044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.872044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.872044 (E_RNA)
where:
Base-Base interactions energy: -27.906
where: short stacking energy: -25.044
Base-Backbone interact. energy: -0.234
local terms energy: -48.732039
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -0.509
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: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -84.360715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.360715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.360715 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -35.036
Base-Backbone interact. energy: 1.121
local terms energy: -50.645950
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -213.474460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.474460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.474460 (E_RNA)
where:
Base-Base interactions energy: -138.669
where: short stacking energy: -71.451
Base-Backbone interact. energy: -1.054
local terms energy: -73.750757
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -21.625
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: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -199.365324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.365324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.365324 (E_RNA)
where:
Base-Base interactions energy: -122.444
where: short stacking energy: -52.862
Base-Backbone interact. energy: -0.082
local terms energy: -76.839875
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -19.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -202.152510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.152510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.152510 (E_RNA)
where:
Base-Base interactions energy: -131.311
where: short stacking energy: -61.729
Base-Backbone interact. energy: -0.101
local terms energy: -70.740709
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -186.124482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.124482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.124482 (E_RNA)
where:
Base-Base interactions energy: -122.854
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.153
local terms energy: -63.117082
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -9.334
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -13.017
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: 423
Temperature: 1.100000
Total energy: -165.012181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.012181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.012181 (E_RNA)
where:
Base-Base interactions energy: -106.298
where: short stacking energy: -41.317
Base-Backbone interact. energy: -0.208
local terms energy: -58.505552
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -186.258417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.258417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.258417 (E_RNA)
where:
Base-Base interactions energy: -117.033
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.013
local terms energy: -69.212170
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -86.552040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.552040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.552040 (E_RNA)
where:
Base-Base interactions energy: -27.850
where: short stacking energy: -27.850
Base-Backbone interact. energy: -0.126
local terms energy: -58.575942
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -94.465637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.465637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.465637 (E_RNA)
where:
Base-Base interactions energy: -41.978
where: short stacking energy: -21.201
Base-Backbone interact. energy: -0.514
local terms energy: -51.973557
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: 1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -80.097821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.097821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.097821 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -29.785
Base-Backbone interact. energy: -0.786
local terms energy: -49.526843
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: 0.041
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: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -87.412731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.412731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.412731 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.579
local terms energy: -52.815443
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -10.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -213.371318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.371318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.371318 (E_RNA)
where:
Base-Base interactions energy: -139.151
where: short stacking energy: -71.201
Base-Backbone interact. energy: -0.100
local terms energy: -74.119599
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -19.869
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: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -210.055040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.055040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.055040 (E_RNA)
where:
Base-Base interactions energy: -131.619
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.164
local terms energy: -78.272071
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -18.478
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: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -199.644253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.644253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.644253 (E_RNA)
where:
Base-Base interactions energy: -129.212
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.239
local terms energy: -70.193807
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -200.082558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.082558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.082558 (E_RNA)
where:
Base-Base interactions energy: -126.045
where: short stacking energy: -57.834
Base-Backbone interact. energy: -0.146
local terms energy: -73.891680
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -190.994619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.994619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.994619 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -52.725
Base-Backbone interact. energy: -0.842
local terms energy: -66.185828
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -181.615122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.615122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.615122 (E_RNA)
where:
Base-Base interactions energy: -108.592
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.160
local terms energy: -72.863588
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -92.131242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.131242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.131242 (E_RNA)
where:
Base-Base interactions energy: -37.180
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.196
local terms energy: -54.755426
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -83.461041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.461041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.461041 (E_RNA)
where:
Base-Base interactions energy: -28.683
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.581
local terms energy: -54.196990
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: 0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -76.427785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.427785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.427785 (E_RNA)
where:
Base-Base interactions energy: -20.814
where: short stacking energy: -20.814
Base-Backbone interact. energy: -0.119
local terms energy: -55.494432
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -85.670717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.670717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.670717 (E_RNA)
where:
Base-Base interactions energy: -46.316
where: short stacking energy: -36.776
Base-Backbone interact. energy: -0.310
local terms energy: -39.044880
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -2.291
tors. eta vs tors. theta energy: -2.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -209.963451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.963451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.963451 (E_RNA)
where:
Base-Base interactions energy: -134.596
where: short stacking energy: -66.573
Base-Backbone interact. energy: -0.125
local terms energy: -75.242241
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -20.596
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: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -203.354525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.354525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.354525 (E_RNA)
where:
Base-Base interactions energy: -127.298
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.074
local terms energy: -75.982409
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -204.394756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.394756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.394756 (E_RNA)
where:
Base-Base interactions energy: -119.992
where: short stacking energy: -63.218
Base-Backbone interact. energy: -0.061
local terms energy: -84.341799
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -188.893606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.893606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.893606 (E_RNA)
where:
Base-Base interactions energy: -127.620
where: short stacking energy: -55.340
Base-Backbone interact. energy: 0.358
local terms energy: -61.630834
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -190.343064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.343064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.343064 (E_RNA)
where:
Base-Base interactions energy: -123.391
where: short stacking energy: -60.972
Base-Backbone interact. energy: -0.896
local terms energy: -66.056672
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -1.782
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -196.315716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.315716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.315716 (E_RNA)
where:
Base-Base interactions energy: -133.142
where: short stacking energy: -54.727
Base-Backbone interact. energy: -0.198
local terms energy: -62.975839
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -17.399
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: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -100.869825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.869825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.869825 (E_RNA)
where:
Base-Base interactions energy: -45.588
where: short stacking energy: -38.663
Base-Backbone interact. energy: -0.104
local terms energy: -55.177335
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -7.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -112.790670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.790670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.790670 (E_RNA)
where:
Base-Base interactions energy: -66.179
where: short stacking energy: -33.844
Base-Backbone interact. energy: -0.549
local terms energy: -46.062556
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -3.515
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -88.575083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.575083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575083 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -37.252
Base-Backbone interact. energy: -0.075
local terms energy: -51.248002
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -8.725
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -10.587
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: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -72.318815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.318815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.318815 (E_RNA)
where:
Base-Base interactions energy: -25.434
where: short stacking energy: -25.434
Base-Backbone interact. energy: -0.206
local terms energy: -46.678359
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -2.060
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: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -203.891866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.891866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.891866 (E_RNA)
where:
Base-Base interactions energy: -130.324
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.001
local terms energy: -73.566385
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -197.557402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.557402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.557402 (E_RNA)
where:
Base-Base interactions energy: -131.737
where: short stacking energy: -58.356
Base-Backbone interact. energy: -0.168
local terms energy: -65.652215
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -193.996428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.996428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.996428 (E_RNA)
where:
Base-Base interactions energy: -130.377
where: short stacking energy: -64.155
Base-Backbone interact. energy: 1.030
local terms energy: -64.650203
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -13.440
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: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -199.726663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.726663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.726663 (E_RNA)
where:
Base-Base interactions energy: -124.542
where: short stacking energy: -67.381
Base-Backbone interact. energy: 0.604
local terms energy: -75.788745
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -191.148322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.148322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.148322 (E_RNA)
where:
Base-Base interactions energy: -123.548
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.012
local terms energy: -67.587701
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -176.803978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.803978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.803978 (E_RNA)
where:
Base-Base interactions energy: -116.361
where: short stacking energy: -56.396
Base-Backbone interact. energy: 0.237
local terms energy: -60.679786
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -11.108
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: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -176.704404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.704404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.704404 (E_RNA)
where:
Base-Base interactions energy: -113.754
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.088
local terms energy: -62.862126
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -11.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -83.455855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.455855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.455855 (E_RNA)
where:
Base-Base interactions energy: -33.397
where: short stacking energy: -33.397
Base-Backbone interact. energy: -0.238
local terms energy: -49.820963
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: 0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -72.371796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.371796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.371796 (E_RNA)
where:
Base-Base interactions energy: -27.423
where: short stacking energy: -27.423
Base-Backbone interact. energy: -0.190
local terms energy: -44.758728
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: 2.518
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: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -76.009521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.009521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.009521 (E_RNA)
where:
Base-Base interactions energy: -27.174
where: short stacking energy: -26.862
Base-Backbone interact. energy: 0.174
local terms energy: -49.010169
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: 1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -209.474421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.474421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.474421 (E_RNA)
where:
Base-Base interactions energy: -134.148
where: short stacking energy: -61.583
Base-Backbone interact. energy: -0.164
local terms energy: -75.162874
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -201.807435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.807435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.807435 (E_RNA)
where:
Base-Base interactions energy: -131.740
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.088
local terms energy: -69.978956
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -202.429106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.429106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.429106 (E_RNA)
where:
Base-Base interactions energy: -123.494
where: short stacking energy: -61.226
Base-Backbone interact. energy: 0.044
local terms energy: -78.979020
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -201.248431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.248431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.248431 (E_RNA)
where:
Base-Base interactions energy: -126.911
where: short stacking energy: -62.706
Base-Backbone interact. energy: -1.885
local terms energy: -72.452008
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.127
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: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -198.342752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.342752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.342752 (E_RNA)
where:
Base-Base interactions energy: -121.588
where: short stacking energy: -71.249
Base-Backbone interact. energy: -0.086
local terms energy: -76.668572
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -179.445359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.445359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.445359 (E_RNA)
where:
Base-Base interactions energy: -119.857
where: short stacking energy: -52.219
Base-Backbone interact. energy: -0.711
local terms energy: -58.878044
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.615
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: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -172.574339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.574339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.574339 (E_RNA)
where:
Base-Base interactions energy: -110.100
where: short stacking energy: -47.329
Base-Backbone interact. energy: 0.563
local terms energy: -63.037768
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -101.217757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.217757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.217757 (E_RNA)
where:
Base-Base interactions energy: -42.754
where: short stacking energy: -42.754
Base-Backbone interact. energy: -0.067
local terms energy: -58.396490
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -88.305017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.305017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.305017 (E_RNA)
where:
Base-Base interactions energy: -33.944
where: short stacking energy: -25.934
Base-Backbone interact. energy: 1.169
local terms energy: -55.529549
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: 0.016
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: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -72.098246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.098246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.098246 (E_RNA)
where:
Base-Base interactions energy: -28.734
where: short stacking energy: -26.754
Base-Backbone interact. energy: -1.122
local terms energy: -42.242902
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: 0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -210.414260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.414260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.414260 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -72.057
Base-Backbone interact. energy: -0.058
local terms energy: -72.199963
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -21.062
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: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -199.951531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.951531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.951531 (E_RNA)
where:
Base-Base interactions energy: -130.227
where: short stacking energy: -72.534
Base-Backbone interact. energy: -0.023
local terms energy: -69.701529
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -206.592444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.592444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.592444 (E_RNA)
where:
Base-Base interactions energy: -134.897
where: short stacking energy: -61.795
Base-Backbone interact. energy: -0.275
local terms energy: -71.420455
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.402
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: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -191.261522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.261522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.261522 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.037
local terms energy: -76.299508
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -182.334598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.334598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.334598 (E_RNA)
where:
Base-Base interactions energy: -116.153
where: short stacking energy: -56.832
Base-Backbone interact. energy: -0.000
local terms energy: -66.181179
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -168.044155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.044155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.044155 (E_RNA)
where:
Base-Base interactions energy: -99.118
where: short stacking energy: -51.252
Base-Backbone interact. energy: -0.274
local terms energy: -68.651699
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -12.532
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: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -164.923155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.923155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.923155 (E_RNA)
where:
Base-Base interactions energy: -106.475
where: short stacking energy: -52.625
Base-Backbone interact. energy: -0.465
local terms energy: -57.982606
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -8.190
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -83.413208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.413208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.413208 (E_RNA)
where:
Base-Base interactions energy: -30.165
where: short stacking energy: -23.362
Base-Backbone interact. energy: -0.379
local terms energy: -52.869659
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -0.335
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: 428
Temperature: 1.300000
Total energy: -80.326428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.326428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.326428 (E_RNA)
where:
Base-Base interactions energy: -24.701
where: short stacking energy: -24.701
Base-Backbone interact. energy: -0.082
local terms energy: -55.543221
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.116507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.116507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.116507 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -24.465
Base-Backbone interact. energy: -0.297
local terms energy: -47.899360
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -7.338
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -193.780201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.780201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.780201 (E_RNA)
where:
Base-Base interactions energy: -128.289
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.086
local terms energy: -65.404937
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -13.862
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: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -203.288216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.288216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.288216 (E_RNA)
where:
Base-Base interactions energy: -128.973
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.098
local terms energy: -74.217643
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -21.701
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: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -196.232491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.232491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.232491 (E_RNA)
where:
Base-Base interactions energy: -128.630
where: short stacking energy: -60.904
Base-Backbone interact. energy: -0.120
local terms energy: -67.482017
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -186.919819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.919819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.919819 (E_RNA)
where:
Base-Base interactions energy: -115.700
where: short stacking energy: -50.589
Base-Backbone interact. energy: -0.381
local terms energy: -70.838867
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -15.820
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: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -157.994622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.994622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.994622 (E_RNA)
where:
Base-Base interactions energy: -92.300
where: short stacking energy: -43.704
Base-Backbone interact. energy: -1.531
local terms energy: -64.163638
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -147.146840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.146840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.146840 (E_RNA)
where:
Base-Base interactions energy: -91.203
where: short stacking energy: -32.995
Base-Backbone interact. energy: 0.009
local terms energy: -55.953467
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -0.642
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -165.971689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.971689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.971689 (E_RNA)
where:
Base-Base interactions energy: -105.849
where: short stacking energy: -45.660
Base-Backbone interact. energy: -0.408
local terms energy: -59.714992
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -11.787
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: 429
Temperature: 1.250000
Total energy: -82.080652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.080652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.080652 (E_RNA)
where:
Base-Base interactions energy: -33.456
where: short stacking energy: -31.255
Base-Backbone interact. energy: -0.161
local terms energy: -48.462769
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: 0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -93.548833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.548833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.548833 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -35.070
Base-Backbone interact. energy: 0.175
local terms energy: -55.124477
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -79.633625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.633625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.633625 (E_RNA)
where:
Base-Base interactions energy: -23.171
where: short stacking energy: -23.171
Base-Backbone interact. energy: 0.995
local terms energy: -57.457405
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -212.567604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.567604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.567604 (E_RNA)
where:
Base-Base interactions energy: -137.608
where: short stacking energy: -74.559
Base-Backbone interact. energy: 0.749
local terms energy: -75.708352
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -199.111166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.111166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.111166 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -55.564
Base-Backbone interact. energy: -0.160
local terms energy: -70.462413
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -195.876072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.876072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.876072 (E_RNA)
where:
Base-Base interactions energy: -122.778
where: short stacking energy: -57.303
Base-Backbone interact. energy: -0.843
local terms energy: -72.254985
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -16.454
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: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -190.360933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.360933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.360933 (E_RNA)
where:
Base-Base interactions energy: -116.827
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.039
local terms energy: -73.495015
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -197.924867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.924867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.924867 (E_RNA)
where:
Base-Base interactions energy: -127.322
where: short stacking energy: -63.632
Base-Backbone interact. energy: -0.042
local terms energy: -70.561646
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -18.568
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: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -179.168736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.168736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.168736 (E_RNA)
where:
Base-Base interactions energy: -114.897
where: short stacking energy: -52.407
Base-Backbone interact. energy: -0.031
local terms energy: -64.240367
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -10.539
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: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -176.700461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.700461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.700461 (E_RNA)
where:
Base-Base interactions energy: -116.204
where: short stacking energy: -56.888
Base-Backbone interact. energy: -0.128
local terms energy: -60.368735
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -8.220
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: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -95.123403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.123403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.123403 (E_RNA)
where:
Base-Base interactions energy: -41.320
where: short stacking energy: -41.320
Base-Backbone interact. energy: -0.098
local terms energy: -53.705742
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -4.849
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: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -80.289337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.289337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.289337 (E_RNA)
where:
Base-Base interactions energy: -28.133
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.012
local terms energy: -52.144036
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -75.895553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.895553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.895553 (E_RNA)
where:
Base-Base interactions energy: -24.472
where: short stacking energy: -21.714
Base-Backbone interact. energy: -0.546
local terms energy: -50.877840
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -2.047
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: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -210.870460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.870460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.870460 (E_RNA)
where:
Base-Base interactions energy: -132.257
where: short stacking energy: -60.893
Base-Backbone interact. energy: -0.080
local terms energy: -78.534031
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -198.060675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.060675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.060675 (E_RNA)
where:
Base-Base interactions energy: -126.600
where: short stacking energy: -55.078
Base-Backbone interact. energy: -1.317
local terms energy: -70.144280
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -192.522969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.522969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.522969 (E_RNA)
where:
Base-Base interactions energy: -124.071
where: short stacking energy: -56.700
Base-Backbone interact. energy: -0.013
local terms energy: -68.438732
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -197.266585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.266585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.266585 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -63.376
Base-Backbone interact. energy: -0.000
local terms energy: -70.220434
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -188.678548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.678548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.678548 (E_RNA)
where:
Base-Base interactions energy: -116.966
where: short stacking energy: -67.334
Base-Backbone interact. energy: -2.623
local terms energy: -69.089112
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -157.236650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.236650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.236650 (E_RNA)
where:
Base-Base interactions energy: -96.345
where: short stacking energy: -45.834
Base-Backbone interact. energy: 0.014
local terms energy: -60.906526
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -155.611790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.611790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.611790 (E_RNA)
where:
Base-Base interactions energy: -94.726
where: short stacking energy: -56.618
Base-Backbone interact. energy: -0.382
local terms energy: -60.503283
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -8.577
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -12.100
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: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -90.600588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.600588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.600588 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -33.612
Base-Backbone interact. energy: -0.266
local terms energy: -54.696364
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -3.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -79.331894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.331894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.331894 (E_RNA)
where:
Base-Base interactions energy: -21.610
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.114
local terms energy: -57.607729
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -7.804
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: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -78.154799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.154799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.154799 (E_RNA)
where:
Base-Base interactions energy: -27.974
where: short stacking energy: -27.974
Base-Backbone interact. energy: -0.374
local terms energy: -49.806280
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -1.111
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: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -216.892001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.892001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.892001 (E_RNA)
where:
Base-Base interactions energy: -140.551
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.145
local terms energy: -76.196637
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -211.460516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.460516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.460516 (E_RNA)
where:
Base-Base interactions energy: -138.307
where: short stacking energy: -62.250
Base-Backbone interact. energy: 0.104
local terms energy: -73.257465
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -19.482
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: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -194.172324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.172324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.172324 (E_RNA)
where:
Base-Base interactions energy: -122.830
where: short stacking energy: -61.983
Base-Backbone interact. energy: -0.068
local terms energy: -71.274413
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -17.389
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: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -178.536621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.536621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.536621 (E_RNA)
where:
Base-Base interactions energy: -116.743
where: short stacking energy: -53.472
Base-Backbone interact. energy: -0.613
local terms energy: -61.179838
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -182.299367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.299367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.299367 (E_RNA)
where:
Base-Base interactions energy: -115.220
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.084
local terms energy: -66.995222
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -146.308357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.308357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.308357 (E_RNA)
where:
Base-Base interactions energy: -94.635
where: short stacking energy: -45.079
Base-Backbone interact. energy: 0.679
local terms energy: -52.353085
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -164.654627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.654627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.654627 (E_RNA)
where:
Base-Base interactions energy: -101.583
where: short stacking energy: -61.281
Base-Backbone interact. energy: -0.370
local terms energy: -62.701405
where:
bonds (distance) C4'-P energy: -6.569
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -89.701720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.701720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.701720 (E_RNA)
where:
Base-Base interactions energy: -29.179
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.057
local terms energy: -60.466177
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -87.968451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968451 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -28.683
Base-Backbone interact. energy: 1.002
local terms energy: -57.898133
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -6.374
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: 432
Temperature: 1.350000
Total energy: -81.862644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.862644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.862644 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -21.624
Base-Backbone interact. energy: -0.016
local terms energy: -47.129573
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -7.253
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -0.958
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: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -223.467636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.467636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.467636 (E_RNA)
where:
Base-Base interactions energy: -144.412
where: short stacking energy: -71.477
Base-Backbone interact. energy: 0.251
local terms energy: -79.306571
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -20.212
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: 433
Temperature: 0.950000
Total energy: -193.646607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.646607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.646607 (E_RNA)
where:
Base-Base interactions energy: -133.228
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.538
local terms energy: -59.880376
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -14.901
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -200.126808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.126808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.126808 (E_RNA)
where:
Base-Base interactions energy: -122.454
where: short stacking energy: -58.065
Base-Backbone interact. energy: -0.686
local terms energy: -76.987047
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -15.615
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: 433
Temperature: 1.050000
Total energy: -194.200351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.200351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.200351 (E_RNA)
where:
Base-Base interactions energy: -128.545
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.125
local terms energy: -65.530636
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -185.595978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.595978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.595978 (E_RNA)
where:
Base-Base interactions energy: -120.536
where: short stacking energy: -56.571
Base-Backbone interact. energy: 0.347
local terms energy: -65.407909
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -17.195
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: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -195.271777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.271777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.271777 (E_RNA)
where:
Base-Base interactions energy: -130.449
where: short stacking energy: -64.930
Base-Backbone interact. energy: -0.412
local terms energy: -64.410684
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -7.844
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -137.128383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.128383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.128383 (E_RNA)
where:
Base-Base interactions energy: -85.330
where: short stacking energy: -27.108
Base-Backbone interact. energy: -0.904
local terms energy: -50.893762
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -84.644060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.644060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.644060 (E_RNA)
where:
Base-Base interactions energy: -30.068
where: short stacking energy: -30.068
Base-Backbone interact. energy: 1.250
local terms energy: -55.825939
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -80.255918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.255918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.255918 (E_RNA)
where:
Base-Base interactions energy: -35.887
where: short stacking energy: -35.887
Base-Backbone interact. energy: -0.059
local terms energy: -44.309005
where:
bonds (distance) C4'-P energy: -6.295
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -2.024
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: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -83.003303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.003303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.003303 (E_RNA)
where:
Base-Base interactions energy: -32.978
where: short stacking energy: -25.157
Base-Backbone interact. energy: -0.173
local terms energy: -49.852073
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -211.056668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.056668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.056668 (E_RNA)
where:
Base-Base interactions energy: -134.294
where: short stacking energy: -65.840
Base-Backbone interact. energy: -1.782
local terms energy: -74.980765
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -191.076153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.076153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.076153 (E_RNA)
where:
Base-Base interactions energy: -119.660
where: short stacking energy: -54.099
Base-Backbone interact. energy: -0.168
local terms energy: -71.248244
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -197.111542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.111542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.111542 (E_RNA)
where:
Base-Base interactions energy: -126.878
where: short stacking energy: -57.724
Base-Backbone interact. energy: -0.064
local terms energy: -70.170027
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -197.431916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.431916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.431916 (E_RNA)
where:
Base-Base interactions energy: -125.507
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.039
local terms energy: -71.885566
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -178.756316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.756316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.756316 (E_RNA)
where:
Base-Base interactions energy: -126.428
where: short stacking energy: -56.924
Base-Backbone interact. energy: -0.028
local terms energy: -52.300200
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -193.595687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.595687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.595687 (E_RNA)
where:
Base-Base interactions energy: -117.550
where: short stacking energy: -54.826
Base-Backbone interact. energy: -0.360
local terms energy: -75.685481
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -138.695942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.695942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.695942 (E_RNA)
where:
Base-Base interactions energy: -79.451
where: short stacking energy: -41.333
Base-Backbone interact. energy: -0.088
local terms energy: -59.156808
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.600
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: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -105.157947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.157947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.157947 (E_RNA)
where:
Base-Base interactions energy: -51.385
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.005
local terms energy: -53.767712
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -105.108613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.108613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.108613 (E_RNA)
where:
Base-Base interactions energy: -45.217
where: short stacking energy: -45.217
Base-Backbone interact. energy: -0.033
local terms energy: -59.858155
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -9.385
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: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -76.266122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.266122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.266122 (E_RNA)
where:
Base-Base interactions energy: -34.016
where: short stacking energy: -31.465
Base-Backbone interact. energy: -0.191
local terms energy: -42.059318
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -214.099471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.099471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.099471 (E_RNA)
where:
Base-Base interactions energy: -139.444
where: short stacking energy: -67.325
Base-Backbone interact. energy: -0.096
local terms energy: -74.559189
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -206.571804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.571804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.571804 (E_RNA)
where:
Base-Base interactions energy: -126.386
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.401
local terms energy: -79.785174
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -207.547056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.547056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.547056 (E_RNA)
where:
Base-Base interactions energy: -133.437
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.002
local terms energy: -74.108244
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -17.782
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: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -185.451516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.451516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.451516 (E_RNA)
where:
Base-Base interactions energy: -126.567
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.238
local terms energy: -58.646233
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -179.964014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.964014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.964014 (E_RNA)
where:
Base-Base interactions energy: -116.664
where: short stacking energy: -47.329
Base-Backbone interact. energy: -0.054
local terms energy: -63.245674
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -12.526
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: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -168.040711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.040711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.040711 (E_RNA)
where:
Base-Base interactions energy: -97.946
where: short stacking energy: -46.475
Base-Backbone interact. energy: -0.746
local terms energy: -69.348387
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -13.967
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: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -129.562753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.562753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.562753 (E_RNA)
where:
Base-Base interactions energy: -75.279
where: short stacking energy: -44.957
Base-Backbone interact. energy: -0.394
local terms energy: -53.889818
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -6.702
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: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -84.392405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.392405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.392405 (E_RNA)
where:
Base-Base interactions energy: -33.216
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.365
local terms energy: -50.810812
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -8.008
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -2.718
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: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -84.880770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.880770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.880770 (E_RNA)
where:
Base-Base interactions energy: -35.018
where: short stacking energy: -29.607
Base-Backbone interact. energy: 0.161
local terms energy: -50.022956
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -70.430438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.430438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.430438 (E_RNA)
where:
Base-Base interactions energy: -27.161
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.299
local terms energy: -42.971032
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: 0.030
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: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -211.395168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.395168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.395168 (E_RNA)
where:
Base-Base interactions energy: -137.669
where: short stacking energy: -72.534
Base-Backbone interact. energy: -0.026
local terms energy: -73.699663
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -18.309
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: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -209.229370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.229370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.229370 (E_RNA)
where:
Base-Base interactions energy: -139.659
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.101
local terms energy: -69.469804
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -185.422678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.422678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.422678 (E_RNA)
where:
Base-Base interactions energy: -111.529
where: short stacking energy: -49.739
Base-Backbone interact. energy: 0.123
local terms energy: -74.015734
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -198.546479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.546479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.546479 (E_RNA)
where:
Base-Base interactions energy: -130.202
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.017
local terms energy: -68.326989
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -170.273026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.273026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.273026 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.004
local terms energy: -61.022845
where:
bonds (distance) C4'-P energy: -6.626
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -13.182
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: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -178.794082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.794082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.794082 (E_RNA)
where:
Base-Base interactions energy: -115.297
where: short stacking energy: -57.042
Base-Backbone interact. energy: -0.086
local terms energy: -63.410324
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -13.960
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: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -98.514606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.514606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.514606 (E_RNA)
where:
Base-Base interactions energy: -44.461
where: short stacking energy: -35.929
Base-Backbone interact. energy: -0.659
local terms energy: -53.394397
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -122.713898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.713898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.713898 (E_RNA)
where:
Base-Base interactions energy: -75.357
where: short stacking energy: -43.405
Base-Backbone interact. energy: -0.084
local terms energy: -47.272277
where:
bonds (distance) C4'-P energy: -6.411
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -5.016
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: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -77.739439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.739439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.739439 (E_RNA)
where:
Base-Base interactions energy: -26.186
where: short stacking energy: -25.561
Base-Backbone interact. energy: 0.192
local terms energy: -51.746270
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -72.439436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.439436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.439436 (E_RNA)
where:
Base-Base interactions energy: -22.048
where: short stacking energy: -22.048
Base-Backbone interact. energy: -0.334
local terms energy: -50.058220
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -215.888948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.888948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.888948 (E_RNA)
where:
Base-Base interactions energy: -133.985
where: short stacking energy: -62.143
Base-Backbone interact. energy: -0.003
local terms energy: -81.900476
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -202.333219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.333219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.333219 (E_RNA)
where:
Base-Base interactions energy: -131.511
where: short stacking energy: -55.393
Base-Backbone interact. energy: -0.092
local terms energy: -70.730111
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -14.785
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: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -196.376814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.376814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.376814 (E_RNA)
where:
Base-Base interactions energy: -123.996
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.003
local terms energy: -72.378235
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -12.079
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: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -193.102785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.102785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.102785 (E_RNA)
where:
Base-Base interactions energy: -126.236
where: short stacking energy: -50.389
Base-Backbone interact. energy: -0.128
local terms energy: -66.738635
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -194.557701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.557701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.557701 (E_RNA)
where:
Base-Base interactions energy: -128.472
where: short stacking energy: -63.722
Base-Backbone interact. energy: 2.599
local terms energy: -68.685025
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -7.784
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: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -163.996037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.996037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.996037 (E_RNA)
where:
Base-Base interactions energy: -103.376
where: short stacking energy: -46.008
Base-Backbone interact. energy: -0.008
local terms energy: -60.611844
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -92.088529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.088529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.088529 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -39.045
Base-Backbone interact. energy: 0.138
local terms energy: -53.382237
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -100.816447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.816447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.816447 (E_RNA)
where:
Base-Base interactions energy: -50.051
where: short stacking energy: -20.751
Base-Backbone interact. energy: -0.116
local terms energy: -50.649740
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -2.572
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: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -81.739689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.739689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.739689 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -35.376
Base-Backbone interact. energy: -0.149
local terms energy: -43.137027
where:
bonds (distance) C4'-P energy: -6.847
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -0.504
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: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -86.730239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.730239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.730239 (E_RNA)
where:
Base-Base interactions energy: -35.987
where: short stacking energy: -26.713
Base-Backbone interact. energy: 0.472
local terms energy: -51.214543
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -212.888553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.888553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.888553 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -64.145
Base-Backbone interact. energy: -0.109
local terms energy: -73.203967
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -224.482945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.482945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.482945 (E_RNA)
where:
Base-Base interactions energy: -142.241
where: short stacking energy: -74.234
Base-Backbone interact. energy: -2.099
local terms energy: -80.142748
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -21.645
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: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -192.217280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.217280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.217280 (E_RNA)
where:
Base-Base interactions energy: -122.799
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.633
local terms energy: -68.784965
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -16.628
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: 438
Temperature: 1.050000
Total energy: -205.337267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.337267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.337267 (E_RNA)
where:
Base-Base interactions energy: -133.818
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.009
local terms energy: -71.510298
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -22.163
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: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -171.256345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.256345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.256345 (E_RNA)
where:
Base-Base interactions energy: -106.757
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.041
local terms energy: -64.458404
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -13.353
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: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -166.596533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.596533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.596533 (E_RNA)
where:
Base-Base interactions energy: -99.698
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.052
local terms energy: -66.845709
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -11.695
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: 438
Temperature: 1.200000
Total energy: -84.184367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.184367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.184367 (E_RNA)
where:
Base-Base interactions energy: -32.445
where: short stacking energy: -32.445
Base-Backbone interact. energy: -0.343
local terms energy: -51.395930
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -88.548228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.548228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.548228 (E_RNA)
where:
Base-Base interactions energy: -38.154
where: short stacking energy: -32.313
Base-Backbone interact. energy: 0.452
local terms energy: -50.846050
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -0.112
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: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -83.652976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652976 (E_RNA)
where:
Base-Base interactions energy: -32.812
where: short stacking energy: -32.552
Base-Backbone interact. energy: -0.104
local terms energy: -50.737165
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -3.729
tors. eta vs tors. theta energy: -5.143
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: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -71.497891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.497891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.497891 (E_RNA)
where:
Base-Base interactions energy: -23.618
where: short stacking energy: -23.162
Base-Backbone interact. energy: -0.245
local terms energy: -47.635045
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -211.462614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.462614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.462614 (E_RNA)
where:
Base-Base interactions energy: -130.122
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.353
local terms energy: -80.987869
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -195.417892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.417892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.417892 (E_RNA)
where:
Base-Base interactions energy: -131.619
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.007
local terms energy: -63.791883
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -2.878
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -192.660317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.660317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.660317 (E_RNA)
where:
Base-Base interactions energy: -120.937
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.577
local terms energy: -71.145997
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -204.447522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.447522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.447522 (E_RNA)
where:
Base-Base interactions energy: -134.184
where: short stacking energy: -61.980
Base-Backbone interact. energy: 0.680
local terms energy: -70.944214
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -12.281
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: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -187.011885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.011885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.011885 (E_RNA)
where:
Base-Base interactions energy: -129.194
where: short stacking energy: -57.317
Base-Backbone interact. energy: -0.076
local terms energy: -57.741921
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -10.286
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -179.362196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.362196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.362196 (E_RNA)
where:
Base-Base interactions energy: -111.472
where: short stacking energy: -57.071
Base-Backbone interact. energy: -0.011
local terms energy: -67.879137
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -16.099
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: 439
Temperature: 1.200000
Total energy: -89.568176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.568176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.568176 (E_RNA)
where:
Base-Base interactions energy: -38.546
where: short stacking energy: -23.766
Base-Backbone interact. energy: -0.250
local terms energy: -50.772342
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -4.223
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: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -90.391516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391516 (E_RNA)
where:
Base-Base interactions energy: -44.102
where: short stacking energy: -39.443
Base-Backbone interact. energy: -0.008
local terms energy: -46.281395
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -8.325
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: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -81.559341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.559341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.559341 (E_RNA)
where:
Base-Base interactions energy: -31.732
where: short stacking energy: -26.162
Base-Backbone interact. energy: -0.367
local terms energy: -49.460439
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: 1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -75.882786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.882786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.882786 (E_RNA)
where:
Base-Base interactions energy: -24.976
where: short stacking energy: -24.814
Base-Backbone interact. energy: -0.666
local terms energy: -50.240548
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -1.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -204.841548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.841548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.841548 (E_RNA)
where:
Base-Base interactions energy: -129.860
where: short stacking energy: -67.562
Base-Backbone interact. energy: -0.038
local terms energy: -74.943413
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -18.843
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: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -170.900102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.900102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.900102 (E_RNA)
where:
Base-Base interactions energy: -106.386
where: short stacking energy: -55.469
Base-Backbone interact. energy: -0.491
local terms energy: -64.023155
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -198.829813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.829813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.829813 (E_RNA)
where:
Base-Base interactions energy: -124.039
where: short stacking energy: -63.174
Base-Backbone interact. energy: 0.977
local terms energy: -75.767716
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -16.744
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: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -188.113094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.113094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.113094 (E_RNA)
where:
Base-Base interactions energy: -116.322
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.979
local terms energy: -70.811654
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -11.973
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: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -191.156183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.156183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.156183 (E_RNA)
where:
Base-Base interactions energy: -125.216
where: short stacking energy: -60.905
Base-Backbone interact. energy: -0.124
local terms energy: -65.815409
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -168.656561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.656561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.656561 (E_RNA)
where:
Base-Base interactions energy: -106.176
where: short stacking energy: -53.192
Base-Backbone interact. energy: -0.119
local terms energy: -62.361313
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -110.571427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.571427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.571427 (E_RNA)
where:
Base-Base interactions energy: -49.376
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.462
local terms energy: -60.734219
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -93.887526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.887526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.887526 (E_RNA)
where:
Base-Base interactions energy: -38.832
where: short stacking energy: -33.096
Base-Backbone interact. energy: 0.191
local terms energy: -55.246654
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -80.321711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.321711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.321711 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -27.999
Base-Backbone interact. energy: 0.148
local terms energy: -47.160561
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -4.414
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: 440
Temperature: 1.350000
Total energy: -79.321169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.321169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.321169 (E_RNA)
where:
Base-Base interactions energy: -23.661
where: short stacking energy: -23.661
Base-Backbone interact. energy: 0.109
local terms energy: -55.769358
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -3.387
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: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -206.379404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.379404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.379404 (E_RNA)
where:
Base-Base interactions energy: -137.935
where: short stacking energy: -70.762
Base-Backbone interact. energy: -0.132
local terms energy: -68.312586
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -207.280799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.280799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.280799 (E_RNA)
where:
Base-Base interactions energy: -130.926
where: short stacking energy: -69.009
Base-Backbone interact. energy: -0.009
local terms energy: -76.345067
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -12.709
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: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -195.493979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.493979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.493979 (E_RNA)
where:
Base-Base interactions energy: -122.107
where: short stacking energy: -56.438
Base-Backbone interact. energy: 0.064
local terms energy: -73.450342
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -198.100210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.100210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.100210 (E_RNA)
where:
Base-Base interactions energy: -125.991
where: short stacking energy: -62.819
Base-Backbone interact. energy: -0.104
local terms energy: -72.005432
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -190.337856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.337856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.337856 (E_RNA)
where:
Base-Base interactions energy: -126.649
where: short stacking energy: -54.015
Base-Backbone interact. energy: -1.177
local terms energy: -62.511882
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -189.519093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.519093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.519093 (E_RNA)
where:
Base-Base interactions energy: -123.904
where: short stacking energy: -64.125
Base-Backbone interact. energy: -0.725
local terms energy: -64.890077
where:
bonds (distance) C4'-P energy: -6.947
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -18.386
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: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -95.070579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.070579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.070579 (E_RNA)
where:
Base-Base interactions energy: -37.594
where: short stacking energy: -37.794
Base-Backbone interact. energy: -0.849
local terms energy: -56.626978
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -9.148
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -7.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -81.980367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.980367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.980367 (E_RNA)
where:
Base-Base interactions energy: -27.697
where: short stacking energy: -27.697
Base-Backbone interact. energy: -0.051
local terms energy: -54.232193
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -86.785234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.785234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.785234 (E_RNA)
where:
Base-Base interactions energy: -29.572
where: short stacking energy: -29.572
Base-Backbone interact. energy: -0.006
local terms energy: -57.207216
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -81.515417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.515417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.515417 (E_RNA)
where:
Base-Base interactions energy: -37.423
where: short stacking energy: -28.829
Base-Backbone interact. energy: -0.223
local terms energy: -43.868926
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -1.211
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -210.888674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.888674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.888674 (E_RNA)
where:
Base-Base interactions energy: -138.427
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.290
local terms energy: -72.171811
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -197.232399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.232399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.232399 (E_RNA)
where:
Base-Base interactions energy: -130.535
where: short stacking energy: -53.992
Base-Backbone interact. energy: -0.001
local terms energy: -66.696497
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -1.560
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -196.894848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.894848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.894848 (E_RNA)
where:
Base-Base interactions energy: -128.254
where: short stacking energy: -60.443
Base-Backbone interact. energy: -0.012
local terms energy: -68.629357
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -17.047
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: 442
Temperature: 1.050000
Total energy: -196.697229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.697229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.697229 (E_RNA)
where:
Base-Base interactions energy: -122.930
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.003
local terms energy: -73.763782
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -13.485
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: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -195.512608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.512608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.512608 (E_RNA)
where:
Base-Base interactions energy: -125.769
where: short stacking energy: -67.308
Base-Backbone interact. energy: -0.048
local terms energy: -69.695519
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -18.436
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: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -185.700101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.700101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.700101 (E_RNA)
where:
Base-Base interactions energy: -113.516
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.059
local terms energy: -72.124398
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -82.038561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.038561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.038561 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -21.224
Base-Backbone interact. energy: -0.477
local terms energy: -52.942645
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -72.816207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.816207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.816207 (E_RNA)
where:
Base-Base interactions energy: -21.546
where: short stacking energy: -16.741
Base-Backbone interact. energy: -0.155
local terms energy: -51.115195
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -84.242477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.242477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.242477 (E_RNA)
where:
Base-Base interactions energy: -30.469
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.117
local terms energy: -53.656483
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -79.310246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.310246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.310246 (E_RNA)
where:
Base-Base interactions energy: -40.443
where: short stacking energy: -34.258
Base-Backbone interact. energy: -0.471
local terms energy: -38.395542
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -3.569
tors. eta vs tors. theta energy: -3.231
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: 443
Temperature: 0.900000
Total energy: -212.070008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.070008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.070008 (E_RNA)
where:
Base-Base interactions energy: -142.393
where: short stacking energy: -68.934
Base-Backbone interact. energy: -0.001
local terms energy: -69.675748
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -203.042534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.042534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.042534 (E_RNA)
where:
Base-Base interactions energy: -127.654
where: short stacking energy: -56.944
Base-Backbone interact. energy: -0.866
local terms energy: -74.523269
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -16.002
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: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -193.106986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.106986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.106986 (E_RNA)
where:
Base-Base interactions energy: -120.695
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.088
local terms energy: -72.323727
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -14.609
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: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -193.811373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.811373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.811373 (E_RNA)
where:
Base-Base interactions energy: -122.441
where: short stacking energy: -58.346
Base-Backbone interact. energy: -0.002
local terms energy: -71.367964
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -167.614779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.614779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.614779 (E_RNA)
where:
Base-Base interactions energy: -109.922
where: short stacking energy: -54.913
Base-Backbone interact. energy: -0.733
local terms energy: -56.959040
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -186.509177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.509177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.509177 (E_RNA)
where:
Base-Base interactions energy: -119.342
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.034
local terms energy: -67.132997
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -16.552
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: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -102.242809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.242809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.242809 (E_RNA)
where:
Base-Base interactions energy: -39.497
where: short stacking energy: -39.497
Base-Backbone interact. energy: 0.136
local terms energy: -62.882240
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -11.787
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: 443
Temperature: 1.250000
Total energy: -93.738113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.738113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.738113 (E_RNA)
where:
Base-Base interactions energy: -33.211
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.054
local terms energy: -60.473659
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -9.071
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: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -83.311652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.311652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.311652 (E_RNA)
where:
Base-Base interactions energy: -40.249
where: short stacking energy: -36.329
Base-Backbone interact. energy: -0.106
local terms energy: -42.957110
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -93.573085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.573085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.573085 (E_RNA)
where:
Base-Base interactions energy: -37.724
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.169
local terms energy: -55.679856
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -199.394133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.394133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.394133 (E_RNA)
where:
Base-Base interactions energy: -129.460
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.152
local terms energy: -69.782002
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -14.761
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: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -206.729405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.729405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.729405 (E_RNA)
where:
Base-Base interactions energy: -133.891
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.218
local terms energy: -72.620832
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -16.356
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: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -199.311757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.311757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.311757 (E_RNA)
where:
Base-Base interactions energy: -127.924
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.017
local terms energy: -71.370699
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -189.918620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.918620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.918620 (E_RNA)
where:
Base-Base interactions energy: -120.734
where: short stacking energy: -56.383
Base-Backbone interact. energy: -0.144
local terms energy: -69.040801
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -148.848480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.848480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.848480 (E_RNA)
where:
Base-Base interactions energy: -84.334
where: short stacking energy: -49.302
Base-Backbone interact. energy: -0.110
local terms energy: -64.403946
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -9.556
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: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -159.053901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.053901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.053901 (E_RNA)
where:
Base-Base interactions energy: -99.513
where: short stacking energy: -53.959
Base-Backbone interact. energy: -0.114
local terms energy: -59.426882
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -100.169225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.169225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.169225 (E_RNA)
where:
Base-Base interactions energy: -38.423
where: short stacking energy: -38.127
Base-Backbone interact. energy: -0.126
local terms energy: -61.619804
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -5.495
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: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -116.277527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.277527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.277527 (E_RNA)
where:
Base-Base interactions energy: -70.499
where: short stacking energy: -35.914
Base-Backbone interact. energy: -0.637
local terms energy: -45.141680
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: 0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -76.843949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.843949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.843949 (E_RNA)
where:
Base-Base interactions energy: -28.304
where: short stacking energy: -23.761
Base-Backbone interact. energy: -1.218
local terms energy: -47.321583
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -75.630632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.630632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.630632 (E_RNA)
where:
Base-Base interactions energy: -17.458
where: short stacking energy: -15.628
Base-Backbone interact. energy: -0.031
local terms energy: -58.141766
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -201.522101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.522101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.522101 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -62.819
Base-Backbone interact. energy: -0.496
local terms energy: -72.756180
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -205.772217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.772217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.772217 (E_RNA)
where:
Base-Base interactions energy: -131.403
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.125
local terms energy: -74.245137
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -193.027967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.027967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.027967 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -62.611
Base-Backbone interact. energy: -0.834
local terms energy: -68.858901
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -18.805
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: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -191.384096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.384096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.384096 (E_RNA)
where:
Base-Base interactions energy: -125.328
where: short stacking energy: -58.252
Base-Backbone interact. energy: -0.983
local terms energy: -65.073598
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -176.762997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.762997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.762997 (E_RNA)
where:
Base-Base interactions energy: -114.888
where: short stacking energy: -53.257
Base-Backbone interact. energy: 0.846
local terms energy: -62.721512
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -150.680519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.680519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.680519 (E_RNA)
where:
Base-Base interactions energy: -85.892
where: short stacking energy: -45.648
Base-Backbone interact. energy: -0.254
local terms energy: -64.534434
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -13.746
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: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -97.694056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.694056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.694056 (E_RNA)
where:
Base-Base interactions energy: -34.734
where: short stacking energy: -34.734
Base-Backbone interact. energy: 0.700
local terms energy: -63.660389
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -85.628165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.628165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.628165 (E_RNA)
where:
Base-Base interactions energy: -33.459
where: short stacking energy: -33.690
Base-Backbone interact. energy: 0.064
local terms energy: -52.232975
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -100.676889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.676889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.676889 (E_RNA)
where:
Base-Base interactions energy: -53.453
where: short stacking energy: -24.443
Base-Backbone interact. energy: -0.217
local terms energy: -47.006334
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -1.876
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: 445
Temperature: 1.350000
Total energy: -88.971738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.971738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.971738 (E_RNA)
where:
Base-Base interactions energy: -56.673
where: short stacking energy: -18.539
Base-Backbone interact. energy: 0.986
local terms energy: -33.284414
where:
bonds (distance) C4'-P energy: -6.973
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: 2.427
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: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -209.703981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.703981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.703981 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -65.679
Base-Backbone interact. energy: -0.044
local terms energy: -73.475846
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -199.137167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.137167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.137167 (E_RNA)
where:
Base-Base interactions energy: -122.968
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.004
local terms energy: -76.165755
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -17.769
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: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -194.400790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.400790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.400790 (E_RNA)
where:
Base-Base interactions energy: -127.885
where: short stacking energy: -59.909
Base-Backbone interact. energy: -0.810
local terms energy: -65.705692
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -14.348
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: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -193.677090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.677090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.677090 (E_RNA)
where:
Base-Base interactions energy: -124.127
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.229
local terms energy: -69.320961
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -191.239652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.239652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.239652 (E_RNA)
where:
Base-Base interactions energy: -121.486
where: short stacking energy: -57.304
Base-Backbone interact. energy: -0.496
local terms energy: -69.256859
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -13.945
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: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -156.339179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.339179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.339179 (E_RNA)
where:
Base-Base interactions energy: -91.672
where: short stacking energy: -47.821
Base-Backbone interact. energy: 0.459
local terms energy: -65.126218
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -6.109
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: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -107.191679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.191679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.191679 (E_RNA)
where:
Base-Base interactions energy: -42.779
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.001
local terms energy: -64.412333
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -11.691
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: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -89.178855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.178855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.178855 (E_RNA)
where:
Base-Base interactions energy: -36.644
where: short stacking energy: -34.772
Base-Backbone interact. energy: -0.169
local terms energy: -52.366019
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -83.229237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.229237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.229237 (E_RNA)
where:
Base-Base interactions energy: -34.532
where: short stacking energy: -15.027
Base-Backbone interact. energy: -0.155
local terms energy: -48.542409
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -84.104349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.104349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.104349 (E_RNA)
where:
Base-Base interactions energy: -31.955
where: short stacking energy: -28.871
Base-Backbone interact. energy: -0.072
local terms energy: -52.077980
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -7.460
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: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -206.477023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.477023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.477023 (E_RNA)
where:
Base-Base interactions energy: -128.120
where: short stacking energy: -60.282
Base-Backbone interact. energy: -0.056
local terms energy: -78.300581
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -10.294
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: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -196.274505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.274505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.274505 (E_RNA)
where:
Base-Base interactions energy: -132.523
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.045
local terms energy: -63.706433
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -15.253
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: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -199.318736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.318736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.318736 (E_RNA)
where:
Base-Base interactions energy: -135.285
where: short stacking energy: -67.449
Base-Backbone interact. energy: 0.863
local terms energy: -64.897156
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -196.271548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.271548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.271548 (E_RNA)
where:
Base-Base interactions energy: -118.919
where: short stacking energy: -57.976
Base-Backbone interact. energy: -0.011
local terms energy: -77.341114
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -20.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -170.649458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.649458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.649458 (E_RNA)
where:
Base-Base interactions energy: -100.929
where: short stacking energy: -59.727
Base-Backbone interact. energy: 0.070
local terms energy: -69.790648
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -15.265
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: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -166.281233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.281233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.281233 (E_RNA)
where:
Base-Base interactions energy: -106.208
where: short stacking energy: -49.574
Base-Backbone interact. energy: -0.029
local terms energy: -60.044495
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -93.545730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.545730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.545730 (E_RNA)
where:
Base-Base interactions energy: -49.499
where: short stacking energy: -27.846
Base-Backbone interact. energy: -0.399
local terms energy: -43.647928
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: 1.978
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: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -89.846665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.846665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.846665 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -33.492
Base-Backbone interact. energy: -0.045
local terms energy: -54.329127
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -8.436
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: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -81.688657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.688657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.688657 (E_RNA)
where:
Base-Base interactions energy: -29.728
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.038
local terms energy: -51.922081
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -75.717959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.717959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.717959 (E_RNA)
where:
Base-Base interactions energy: -28.664
where: short stacking energy: -28.664
Base-Backbone interact. energy: -0.112
local terms energy: -46.942167
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -3.225
tors. eta vs tors. theta energy: -0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -210.841578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.841578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.841578 (E_RNA)
where:
Base-Base interactions energy: -131.603
where: short stacking energy: -66.216
Base-Backbone interact. energy: -0.633
local terms energy: -78.604997
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -200.553339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.553339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.553339 (E_RNA)
where:
Base-Base interactions energy: -125.777
where: short stacking energy: -63.376
Base-Backbone interact. energy: -0.513
local terms energy: -74.263375
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -207.262764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.262764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.262764 (E_RNA)
where:
Base-Base interactions energy: -131.224
where: short stacking energy: -69.034
Base-Backbone interact. energy: -0.076
local terms energy: -75.962228
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -192.431229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.431229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.431229 (E_RNA)
where:
Base-Base interactions energy: -127.602
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.179
local terms energy: -64.650110
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -16.636
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: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -182.733600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.733600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.733600 (E_RNA)
where:
Base-Base interactions energy: -116.335
where: short stacking energy: -63.446
Base-Backbone interact. energy: -0.053
local terms energy: -66.346143
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -154.178276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.178276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.178276 (E_RNA)
where:
Base-Base interactions energy: -106.798
where: short stacking energy: -53.610
Base-Backbone interact. energy: 1.390
local terms energy: -48.770140
where:
bonds (distance) C4'-P energy: -6.925
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -93.682090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.682090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.682090 (E_RNA)
where:
Base-Base interactions energy: -36.098
where: short stacking energy: -31.929
Base-Backbone interact. energy: -0.307
local terms energy: -57.276799
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -87.125852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125852 (E_RNA)
where:
Base-Base interactions energy: -30.535
where: short stacking energy: -29.185
Base-Backbone interact. energy: 0.038
local terms energy: -56.628956
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -80.424696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.424696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.424696 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -21.531
Base-Backbone interact. energy: -0.130
local terms energy: -46.648154
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -0.175
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: 448
Temperature: 1.350000
Total energy: -79.894760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.894760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.894760 (E_RNA)
where:
Base-Base interactions energy: -29.002
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.181
local terms energy: -50.712011
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -7.696
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -217.083732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.083732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.083732 (E_RNA)
where:
Base-Base interactions energy: -140.292
where: short stacking energy: -68.958
Base-Backbone interact. energy: 0.086
local terms energy: -76.878053
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -20.212
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: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -209.613743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.613743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.613743 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -67.477
Base-Backbone interact. energy: -0.358
local terms energy: -73.948558
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -195.182974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.182974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.182974 (E_RNA)
where:
Base-Base interactions energy: -128.791
where: short stacking energy: -59.669
Base-Backbone interact. energy: -0.059
local terms energy: -66.332697
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -15.615
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: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -188.246298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.246298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.246298 (E_RNA)
where:
Base-Base interactions energy: -124.676
where: short stacking energy: -55.890
Base-Backbone interact. energy: -1.427
local terms energy: -62.143496
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -13.303
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: 449
Temperature: 1.100000
Total energy: -180.361817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.361817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.361817 (E_RNA)
where:
Base-Base interactions energy: -115.531
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.066
local terms energy: -64.764252
where:
bonds (distance) C4'-P energy: -6.146
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -157.153041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.153041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.153041 (E_RNA)
where:
Base-Base interactions energy: -96.191
where: short stacking energy: -53.803
Base-Backbone interact. energy: -0.023
local terms energy: -60.939471
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -16.256
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: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -88.171391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.171391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.171391 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -31.060
Base-Backbone interact. energy: -0.104
local terms energy: -56.165809
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -11.831
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: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -100.376189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.376189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.376189 (E_RNA)
where:
Base-Base interactions energy: -52.845
where: short stacking energy: -27.330
Base-Backbone interact. energy: -0.052
local terms energy: -47.478674
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -96.398116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.398116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.398116 (E_RNA)
where:
Base-Base interactions energy: -40.352
where: short stacking energy: -20.719
Base-Backbone interact. energy: -0.834
local terms energy: -55.211963
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -1.949
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: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -90.142151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.142151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.142151 (E_RNA)
where:
Base-Base interactions energy: -46.869
where: short stacking energy: -35.368
Base-Backbone interact. energy: -1.167
local terms energy: -42.106409
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: -7.552
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: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -209.104116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.104116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.104116 (E_RNA)
where:
Base-Base interactions energy: -130.624
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.028
local terms energy: -78.451750
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -203.773084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.773084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.773084 (E_RNA)
where:
Base-Base interactions energy: -128.680
where: short stacking energy: -66.342
Base-Backbone interact. energy: -0.010
local terms energy: -75.082911
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -198.952913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.952913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.952913 (E_RNA)
where:
Base-Base interactions energy: -127.314
where: short stacking energy: -55.214
Base-Backbone interact. energy: -0.239
local terms energy: -71.400260
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -14.968
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: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -195.740165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.740165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.740165 (E_RNA)
where:
Base-Base interactions energy: -119.314
where: short stacking energy: -57.901
Base-Backbone interact. energy: 0.149
local terms energy: -76.575367
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -152.605237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.605237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.605237 (E_RNA)
where:
Base-Base interactions energy: -95.569
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.204
local terms energy: -56.831933
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -7.297
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: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -172.246453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.246453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.246453 (E_RNA)
where:
Base-Base interactions energy: -115.997
where: short stacking energy: -55.256
Base-Backbone interact. energy: -0.026
local terms energy: -56.223496
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -94.546471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.546471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.546471 (E_RNA)
where:
Base-Base interactions energy: -50.101
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.390
local terms energy: -44.056004
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -87.176739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.176739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.176739 (E_RNA)
where:
Base-Base interactions energy: -31.322
where: short stacking energy: -31.322
Base-Backbone interact. energy: -0.129
local terms energy: -55.725188
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -91.605488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.605488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.605488 (E_RNA)
where:
Base-Base interactions energy: -33.513
where: short stacking energy: -28.092
Base-Backbone interact. energy: -0.059
local terms energy: -58.033760
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -86.298515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.298515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.298515 (E_RNA)
where:
Base-Base interactions energy: -37.697
where: short stacking energy: -37.697
Base-Backbone interact. energy: -0.011
local terms energy: -48.590295
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -7.552
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -205.524087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.524087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.524087 (E_RNA)
where:
Base-Base interactions energy: -131.585
where: short stacking energy: -62.576
Base-Backbone interact. energy: -0.635
local terms energy: -73.304550
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -212.092322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.092322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.092322 (E_RNA)
where:
Base-Base interactions energy: -141.917
where: short stacking energy: -74.139
Base-Backbone interact. energy: -0.002
local terms energy: -70.172615
where:
bonds (distance) C4'-P energy: -7.146
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -192.391126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.391126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.391126 (E_RNA)
where:
Base-Base interactions energy: -115.641
where: short stacking energy: -62.019
Base-Backbone interact. energy: -0.641
local terms energy: -76.108836
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -187.057589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.057589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.057589 (E_RNA)
where:
Base-Base interactions energy: -120.093
where: short stacking energy: -59.459
Base-Backbone interact. energy: -0.007
local terms energy: -66.958345
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -174.506303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.506303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.506303 (E_RNA)
where:
Base-Base interactions energy: -111.546
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.069
local terms energy: -62.891093
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -178.195174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.195174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.195174 (E_RNA)
where:
Base-Base interactions energy: -110.904
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.807
local terms energy: -66.484568
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -83.308931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.308931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.308931 (E_RNA)
where:
Base-Base interactions energy: -32.014
where: short stacking energy: -17.362
Base-Backbone interact. energy: -0.241
local terms energy: -51.053246
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: 2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -94.466854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.466854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.466854 (E_RNA)
where:
Base-Base interactions energy: -43.958
where: short stacking energy: -44.158
Base-Backbone interact. energy: -0.040
local terms energy: -50.468534
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -7.526
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: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -81.737635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.737635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.737635 (E_RNA)
where:
Base-Base interactions energy: -28.334
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.002
local terms energy: -53.401319
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -8.393
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -80.907025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.907025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.907025 (E_RNA)
where:
Base-Base interactions energy: -35.586
where: short stacking energy: -30.166
Base-Backbone interact. energy: -0.036
local terms energy: -45.284998
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -5.351
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: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -208.430911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.430911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.430911 (E_RNA)
where:
Base-Base interactions energy: -134.383
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.094
local terms energy: -73.954296
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -9.572
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: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -212.610570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.610570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.610570 (E_RNA)
where:
Base-Base interactions energy: -145.098
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.732
local terms energy: -66.780645
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -206.555722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.555722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.555722 (E_RNA)
where:
Base-Base interactions energy: -131.911
where: short stacking energy: -66.821
Base-Backbone interact. energy: 0.323
local terms energy: -74.967675
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -16.771
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: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -190.366015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.366015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.366015 (E_RNA)
where:
Base-Base interactions energy: -115.848
where: short stacking energy: -59.588
Base-Backbone interact. energy: -0.249
local terms energy: -74.269085
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -18.478
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: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -179.582057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.582057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.582057 (E_RNA)
where:
Base-Base interactions energy: -109.865
where: short stacking energy: -51.868
Base-Backbone interact. energy: -0.046
local terms energy: -69.670649
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -172.338646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.338646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.338646 (E_RNA)
where:
Base-Base interactions energy: -104.280
where: short stacking energy: -49.138
Base-Backbone interact. energy: -0.117
local terms energy: -67.942200
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -100.474488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.474488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.474488 (E_RNA)
where:
Base-Base interactions energy: -37.774
where: short stacking energy: -37.705
Base-Backbone interact. energy: -0.003
local terms energy: -62.697379
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -7.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -81.252420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.252420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.252420 (E_RNA)
where:
Base-Base interactions energy: -39.491
where: short stacking energy: -36.810
Base-Backbone interact. energy: 0.918
local terms energy: -42.679305
where:
bonds (distance) C4'-P energy: -3.440
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -83.245697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.245697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.245697 (E_RNA)
where:
Base-Base interactions energy: -28.148
where: short stacking energy: -26.069
Base-Backbone interact. energy: 0.882
local terms energy: -55.979424
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -7.047
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: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -84.006812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.006812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.006812 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -30.188
Base-Backbone interact. energy: -0.015
local terms energy: -52.841268
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -4.547
tors. eta vs tors. theta energy: -3.459
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: 453
Temperature: 0.900000
Total energy: -214.938856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.938856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.938856 (E_RNA)
where:
Base-Base interactions energy: -136.190
where: short stacking energy: -69.307
Base-Backbone interact. energy: -0.001
local terms energy: -78.747973
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -208.256633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.256633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.256633 (E_RNA)
where:
Base-Base interactions energy: -130.591
where: short stacking energy: -61.602
Base-Backbone interact. energy: -0.835
local terms energy: -76.830707
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -206.947244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.947244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.947244 (E_RNA)
where:
Base-Base interactions energy: -140.907
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.343
local terms energy: -65.697068
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -185.833766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.833766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.833766 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -51.588
Base-Backbone interact. energy: -0.082
local terms energy: -72.102559
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -14.729
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: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -194.385724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.385724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.385724 (E_RNA)
where:
Base-Base interactions energy: -122.906
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.039
local terms energy: -71.440193
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -173.394894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.394894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.394894 (E_RNA)
where:
Base-Base interactions energy: -111.241
where: short stacking energy: -49.064
Base-Backbone interact. energy: -0.057
local terms energy: -62.097662
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -131.674271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.674271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.674271 (E_RNA)
where:
Base-Base interactions energy: -84.619
where: short stacking energy: -50.206
Base-Backbone interact. energy: -0.011
local terms energy: -47.044982
where:
bonds (distance) C4'-P energy: -5.077
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -7.372
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: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -87.432394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.432394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.432394 (E_RNA)
where:
Base-Base interactions energy: -50.813
where: short stacking energy: -22.178
Base-Backbone interact. energy: -1.351
local terms energy: -35.268170
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -5.444
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: 3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -82.656545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656545 (E_RNA)
where:
Base-Base interactions energy: -31.836
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.522
local terms energy: -50.298408
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -6.545
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: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -77.928619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.928619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.928619 (E_RNA)
where:
Base-Base interactions energy: -33.263
where: short stacking energy: -33.263
Base-Backbone interact. energy: -0.067
local terms energy: -44.598071
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -8.075
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -215.147091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.147091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.147091 (E_RNA)
where:
Base-Base interactions energy: -134.202
where: short stacking energy: -68.516
Base-Backbone interact. energy: -0.272
local terms energy: -80.673881
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -14.114
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -203.615811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.615811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.615811 (E_RNA)
where:
Base-Base interactions energy: -133.444
where: short stacking energy: -64.923
Base-Backbone interact. energy: -0.101
local terms energy: -70.070525
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.238
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: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -203.366185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.366185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.366185 (E_RNA)
where:
Base-Base interactions energy: -128.537
where: short stacking energy: -62.993
Base-Backbone interact. energy: 0.495
local terms energy: -75.323633
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -17.815
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: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -205.193525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.193525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.193525 (E_RNA)
where:
Base-Base interactions energy: -128.413
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.095
local terms energy: -76.685622
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -13.527
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: 454
Temperature: 1.100000
Total energy: -168.328304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.328304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.328304 (E_RNA)
where:
Base-Base interactions energy: -106.423
where: short stacking energy: -51.669
Base-Backbone interact. energy: -0.082
local terms energy: -61.824121
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -181.771366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.771366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.771366 (E_RNA)
where:
Base-Base interactions energy: -110.371
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.168
local terms energy: -71.232935
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -141.356538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.356538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.356538 (E_RNA)
where:
Base-Base interactions energy: -78.562
where: short stacking energy: -30.182
Base-Backbone interact. energy: -0.983
local terms energy: -61.811796
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -86.728953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.728953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.728953 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -24.575
Base-Backbone interact. energy: -0.280
local terms energy: -51.105618
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -4.583
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: 454
Temperature: 1.300000
Total energy: -73.585054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.585054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.585054 (E_RNA)
where:
Base-Base interactions energy: -26.077
where: short stacking energy: -26.077
Base-Backbone interact. energy: -0.072
local terms energy: -47.435699
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -74.758296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.758296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.758296 (E_RNA)
where:
Base-Base interactions energy: -22.143
where: short stacking energy: -19.555
Base-Backbone interact. energy: -0.084
local terms energy: -52.531367
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -9.148
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -3.653
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: 455
Temperature: 0.900000
Total energy: -220.317583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.317583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.317583 (E_RNA)
where:
Base-Base interactions energy: -144.652
where: short stacking energy: -69.870
Base-Backbone interact. energy: -0.000
local terms energy: -75.664781
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -20.600
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: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -203.399915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.399915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.399915 (E_RNA)
where:
Base-Base interactions energy: -133.326
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.095
local terms energy: -69.978156
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -196.936084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.936084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.936084 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -53.978
Base-Backbone interact. energy: -0.194
local terms energy: -54.121982
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -180.969552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.969552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.969552 (E_RNA)
where:
Base-Base interactions energy: -113.779
where: short stacking energy: -58.452
Base-Backbone interact. energy: -0.002
local terms energy: -67.189279
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -13.828
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: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -188.453572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.453572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.453572 (E_RNA)
where:
Base-Base interactions energy: -127.647
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.243
local terms energy: -60.564117
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -14.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -185.199888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.199888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.199888 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -49.636
Base-Backbone interact. energy: -0.193
local terms energy: -67.291678
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -13.346
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: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -155.074609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.074609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.074609 (E_RNA)
where:
Base-Base interactions energy: -92.706
where: short stacking energy: -41.126
Base-Backbone interact. energy: -0.705
local terms energy: -61.663994
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -86.381922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.381922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.381922 (E_RNA)
where:
Base-Base interactions energy: -36.266
where: short stacking energy: -36.266
Base-Backbone interact. energy: -0.022
local terms energy: -50.094122
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -7.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -82.012017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012017 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -37.126
Base-Backbone interact. energy: -0.110
local terms energy: -44.775828
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -5.535
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: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -76.686829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.686829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.686829 (E_RNA)
where:
Base-Base interactions energy: -27.072
where: short stacking energy: -27.072
Base-Backbone interact. energy: 2.395
local terms energy: -52.009647
where:
bonds (distance) C4'-P energy: -8.266
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -6.139
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: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -212.721326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.721326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.721326 (E_RNA)
where:
Base-Base interactions energy: -135.271
where: short stacking energy: -66.014
Base-Backbone interact. energy: 0.001
local terms energy: -77.450819
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -206.682161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.682161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.682161 (E_RNA)
where:
Base-Base interactions energy: -132.086
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.101
local terms energy: -74.495060
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -17.575
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: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -197.494425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.494425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.494425 (E_RNA)
where:
Base-Base interactions energy: -127.274
where: short stacking energy: -56.078
Base-Backbone interact. energy: -0.183
local terms energy: -70.037560
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -14.174
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: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -196.767793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.767793 (E_RNA)
where:
Base-Base interactions energy: -124.791
where: short stacking energy: -60.399
Base-Backbone interact. energy: -0.274
local terms energy: -71.702657
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -17.418
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: 456
Temperature: 1.100000
Total energy: -186.524082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.524082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.524082 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -57.050
Base-Backbone interact. energy: 0.320
local terms energy: -61.607362
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -12.505
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: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -186.871543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.871543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.871543 (E_RNA)
where:
Base-Base interactions energy: -120.453
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.037
local terms energy: -66.381484
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -15.842
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: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -165.760905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.760905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.760905 (E_RNA)
where:
Base-Base interactions energy: -112.811
where: short stacking energy: -56.038
Base-Backbone interact. energy: -0.175
local terms energy: -52.774795
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -6.521
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: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -91.863749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.863749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.863749 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -32.609
Base-Backbone interact. energy: -1.104
local terms energy: -53.592374
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -78.554467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.554467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.554467 (E_RNA)
where:
Base-Base interactions energy: -23.779
where: short stacking energy: -23.639
Base-Backbone interact. energy: -0.013
local terms energy: -54.762720
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -74.139821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.139821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.139821 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -25.574
Base-Backbone interact. energy: -1.035
local terms energy: -45.243534
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: 1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -201.394266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.394266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.394266 (E_RNA)
where:
Base-Base interactions energy: -129.872
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.412
local terms energy: -71.110227
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -210.181589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.181589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.181589 (E_RNA)
where:
Base-Base interactions energy: -138.535
where: short stacking energy: -72.890
Base-Backbone interact. energy: -0.408
local terms energy: -71.238710
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -201.584862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.584862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.584862 (E_RNA)
where:
Base-Base interactions energy: -129.956
where: short stacking energy: -58.343
Base-Backbone interact. energy: -0.022
local terms energy: -71.606654
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -16.909
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: 457
Temperature: 1.050000
Total energy: -191.833590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.833590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.833590 (E_RNA)
where:
Base-Base interactions energy: -119.124
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.102
local terms energy: -72.607252
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -191.377365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.377365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.377365 (E_RNA)
where:
Base-Base interactions energy: -119.886
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.035
local terms energy: -71.456417
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -14.372
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: 457
Temperature: 1.150000
Total energy: -182.700923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.700923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.700923 (E_RNA)
where:
Base-Base interactions energy: -121.235
where: short stacking energy: -49.153
Base-Backbone interact. energy: -2.122
local terms energy: -59.343722
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -137.065936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.065936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.065936 (E_RNA)
where:
Base-Base interactions energy: -83.679
where: short stacking energy: -43.587
Base-Backbone interact. energy: 0.107
local terms energy: -53.493763
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -103.618140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.618140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.618140 (E_RNA)
where:
Base-Base interactions energy: -53.475
where: short stacking energy: -29.381
Base-Backbone interact. energy: -0.466
local terms energy: -49.676685
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -87.472012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.472012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.472012 (E_RNA)
where:
Base-Base interactions energy: -35.804
where: short stacking energy: -27.800
Base-Backbone interact. energy: -0.513
local terms energy: -51.155534
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -66.198423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.198423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.198423 (E_RNA)
where:
Base-Base interactions energy: -22.590
where: short stacking energy: -22.590
Base-Backbone interact. energy: 0.668
local terms energy: -44.276913
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: 3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -213.198711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.198711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.198711 (E_RNA)
where:
Base-Base interactions energy: -138.991
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.250
local terms energy: -73.958240
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -214.847583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.847583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.847583 (E_RNA)
where:
Base-Base interactions energy: -138.143
where: short stacking energy: -71.420
Base-Backbone interact. energy: -0.002
local terms energy: -76.703348
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -202.531483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.531483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.531483 (E_RNA)
where:
Base-Base interactions energy: -126.701
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.001
local terms energy: -75.829364
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -198.520272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.520272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.520272 (E_RNA)
where:
Base-Base interactions energy: -126.717
where: short stacking energy: -63.011
Base-Backbone interact. energy: -0.001
local terms energy: -71.802948
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -11.138
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: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -190.345354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.345354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.345354 (E_RNA)
where:
Base-Base interactions energy: -122.791
where: short stacking energy: -55.998
Base-Backbone interact. energy: 0.072
local terms energy: -67.626585
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -166.014290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.014290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.014290 (E_RNA)
where:
Base-Base interactions energy: -104.617
where: short stacking energy: -49.883
Base-Backbone interact. energy: -0.151
local terms energy: -61.246155
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -119.685479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.685479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.685479 (E_RNA)
where:
Base-Base interactions energy: -61.157
where: short stacking energy: -26.631
Base-Backbone interact. energy: -0.460
local terms energy: -58.067852
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -10.705
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: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -105.066060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.066060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.066060 (E_RNA)
where:
Base-Base interactions energy: -55.739
where: short stacking energy: -30.557
Base-Backbone interact. energy: 0.134
local terms energy: -49.460516
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -4.307
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: 458
Temperature: 1.300000
Total energy: -79.966284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.966284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.966284 (E_RNA)
where:
Base-Base interactions energy: -32.502
where: short stacking energy: -32.502
Base-Backbone interact. energy: -0.171
local terms energy: -47.293678
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -8.692
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -85.688665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.688665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.688665 (E_RNA)
where:
Base-Base interactions energy: -34.308
where: short stacking energy: -33.176
Base-Backbone interact. energy: -0.156
local terms energy: -51.224480
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -0.763
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: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -209.654112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.654112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.654112 (E_RNA)
where:
Base-Base interactions energy: -137.906
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.002
local terms energy: -71.746049
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -205.513850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.513850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.513850 (E_RNA)
where:
Base-Base interactions energy: -130.234
where: short stacking energy: -68.507
Base-Backbone interact. energy: -0.687
local terms energy: -74.592493
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -210.114600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.114600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.114600 (E_RNA)
where:
Base-Base interactions energy: -131.819
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.001
local terms energy: -78.294476
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -206.422608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.422608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.422608 (E_RNA)
where:
Base-Base interactions energy: -135.678
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.003
local terms energy: -70.742307
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -193.032902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.032902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.032902 (E_RNA)
where:
Base-Base interactions energy: -126.883
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.075
local terms energy: -66.075588
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -173.284713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.284713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.284713 (E_RNA)
where:
Base-Base interactions energy: -116.658
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.008
local terms energy: -56.617736
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -11.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -89.732606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.732606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.732606 (E_RNA)
where:
Base-Base interactions energy: -32.933
where: short stacking energy: -32.933
Base-Backbone interact. energy: 1.170
local terms energy: -57.970156
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -86.637327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.637327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.637327 (E_RNA)
where:
Base-Base interactions energy: -30.230
where: short stacking energy: -28.280
Base-Backbone interact. energy: -0.232
local terms energy: -56.175493
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -7.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -84.624522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.624522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.624522 (E_RNA)
where:
Base-Base interactions energy: -48.336
where: short stacking energy: -34.662
Base-Backbone interact. energy: -0.123
local terms energy: -36.165191
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -9.121
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: 0.124
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -77.098430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.098430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.098430 (E_RNA)
where:
Base-Base interactions energy: -35.223
where: short stacking energy: -27.094
Base-Backbone interact. energy: 3.220
local terms energy: -45.095230
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -1.460
tors. eta vs tors. theta energy: -2.504
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: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -209.542343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.542343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.542343 (E_RNA)
where:
Base-Base interactions energy: -132.624
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.077
local terms energy: -76.840911
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -203.954973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.954973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.954973 (E_RNA)
where:
Base-Base interactions energy: -128.089
where: short stacking energy: -67.245
Base-Backbone interact. energy: -0.083
local terms energy: -75.783441
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -211.420531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.420531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.420531 (E_RNA)
where:
Base-Base interactions energy: -134.422
where: short stacking energy: -70.843
Base-Backbone interact. energy: -0.099
local terms energy: -76.899392
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -182.289683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.289683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.289683 (E_RNA)
where:
Base-Base interactions energy: -118.741
where: short stacking energy: -62.206
Base-Backbone interact. energy: -0.212
local terms energy: -63.336475
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -190.490952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.490952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.490952 (E_RNA)
where:
Base-Base interactions energy: -121.115
where: short stacking energy: -50.716
Base-Backbone interact. energy: -1.319
local terms energy: -68.057779
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -11.820
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: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -173.246601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.246601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.246601 (E_RNA)
where:
Base-Base interactions energy: -117.668
where: short stacking energy: -45.293
Base-Backbone interact. energy: 0.935
local terms energy: -56.513403
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -8.736
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: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -107.028135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.028135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.028135 (E_RNA)
where:
Base-Base interactions energy: -44.538
where: short stacking energy: -38.646
Base-Backbone interact. energy: -0.776
local terms energy: -61.714404
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -11.682
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: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -87.123637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.123637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.123637 (E_RNA)
where:
Base-Base interactions energy: -30.817
where: short stacking energy: -30.817
Base-Backbone interact. energy: -0.090
local terms energy: -56.216093
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -11.183
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: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -87.726186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.726186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.726186 (E_RNA)
where:
Base-Base interactions energy: -34.117
where: short stacking energy: -27.722
Base-Backbone interact. energy: -0.001
local terms energy: -53.608821
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -80.848538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.848538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.848538 (E_RNA)
where:
Base-Base interactions energy: -38.215
where: short stacking energy: -29.920
Base-Backbone interact. energy: -1.420
local terms energy: -41.213724
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -1.504
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: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -206.645884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.645884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.645884 (E_RNA)
where:
Base-Base interactions energy: -127.879
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.080
local terms energy: -78.686797
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -203.316779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.316779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.316779 (E_RNA)
where:
Base-Base interactions energy: -126.551
where: short stacking energy: -63.913
Base-Backbone interact. energy: -0.006
local terms energy: -76.759967
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -15.684
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: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -195.748106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.748106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.748106 (E_RNA)
where:
Base-Base interactions energy: -128.869
where: short stacking energy: -64.406
Base-Backbone interact. energy: -0.202
local terms energy: -66.677376
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -190.446329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.446329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.446329 (E_RNA)
where:
Base-Base interactions energy: -121.391
where: short stacking energy: -47.233
Base-Backbone interact. energy: -0.215
local terms energy: -68.840624
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -9.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -189.301484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.301484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.301484 (E_RNA)
where:
Base-Base interactions energy: -113.384
where: short stacking energy: -57.459
Base-Backbone interact. energy: 0.043
local terms energy: -75.960299
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -17.587
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: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -175.130956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.130956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.130956 (E_RNA)
where:
Base-Base interactions energy: -105.590
where: short stacking energy: -59.001
Base-Backbone interact. energy: -0.047
local terms energy: -69.493264
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -15.637
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: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -95.552265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.552265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.552265 (E_RNA)
where:
Base-Base interactions energy: -44.040
where: short stacking energy: -39.613
Base-Backbone interact. energy: -0.094
local terms energy: -51.418925
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -7.019
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: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -96.847624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.847624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.847624 (E_RNA)
where:
Base-Base interactions energy: -41.870
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.147
local terms energy: -54.830618
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -80.139509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.139509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.139509 (E_RNA)
where:
Base-Base interactions energy: -35.876
where: short stacking energy: -32.846
Base-Backbone interact. energy: -0.127
local terms energy: -44.136102
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -2.966
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -79.381439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.381439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.381439 (E_RNA)
where:
Base-Base interactions energy: -29.826
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.149
local terms energy: -49.406418
where:
bonds (distance) C4'-P energy: -6.829
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -4.789
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: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -208.888605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.888605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.888605 (E_RNA)
where:
Base-Base interactions energy: -131.343
where: short stacking energy: -57.209
Base-Backbone interact. energy: -0.585
local terms energy: -76.960621
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -19.793
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: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -203.883618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.883618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.883618 (E_RNA)
where:
Base-Base interactions energy: -133.403
where: short stacking energy: -68.372
Base-Backbone interact. energy: -0.150
local terms energy: -70.330659
where:
bonds (distance) C4'-P energy: -8.246
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -197.534836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.534836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.534836 (E_RNA)
where:
Base-Base interactions energy: -125.656
where: short stacking energy: -52.869
Base-Backbone interact. energy: -0.077
local terms energy: -71.801826
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -188.081543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.081543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.081543 (E_RNA)
where:
Base-Base interactions energy: -125.654
where: short stacking energy: -54.352
Base-Backbone interact. energy: -0.030
local terms energy: -62.397472
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -1.163
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -197.300870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.300870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.300870 (E_RNA)
where:
Base-Base interactions energy: -127.229
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.160
local terms energy: -69.912437
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -19.976
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: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -183.698569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.698569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.698569 (E_RNA)
where:
Base-Base interactions energy: -116.568
where: short stacking energy: -49.763
Base-Backbone interact. energy: 0.121
local terms energy: -67.251232
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -154.683781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.683781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.683781 (E_RNA)
where:
Base-Base interactions energy: -93.220
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.087
local terms energy: -61.376647
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -12.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -86.621422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.621422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.621422 (E_RNA)
where:
Base-Base interactions energy: -38.134
where: short stacking energy: -36.298
Base-Backbone interact. energy: -0.254
local terms energy: -48.233520
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -3.339
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: 462
Temperature: 1.300000
Total energy: -90.715331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.715331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.715331 (E_RNA)
where:
Base-Base interactions energy: -37.797
where: short stacking energy: -17.928
Base-Backbone interact. energy: -0.088
local terms energy: -52.831006
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -74.411429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.411429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.411429 (E_RNA)
where:
Base-Base interactions energy: -26.924
where: short stacking energy: -26.924
Base-Backbone interact. energy: -0.167
local terms energy: -47.321246
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: 1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -202.300193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.300193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.300193 (E_RNA)
where:
Base-Base interactions energy: -136.003
where: short stacking energy: -67.893
Base-Backbone interact. energy: -0.206
local terms energy: -66.091014
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -16.076
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: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -197.384358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.384358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.384358 (E_RNA)
where:
Base-Base interactions energy: -120.987
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.075
local terms energy: -76.322385
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -206.278216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.278216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.278216 (E_RNA)
where:
Base-Base interactions energy: -132.746
where: short stacking energy: -69.680
Base-Backbone interact. energy: -0.155
local terms energy: -73.377352
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -187.695068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.695068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.695068 (E_RNA)
where:
Base-Base interactions energy: -120.696
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.013
local terms energy: -66.985461
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -9.509
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -8.337
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: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -181.206453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.206453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.206453 (E_RNA)
where:
Base-Base interactions energy: -121.051
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.169
local terms energy: -59.986966
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -174.434041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.434041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.434041 (E_RNA)
where:
Base-Base interactions energy: -117.449
where: short stacking energy: -60.506
Base-Backbone interact. energy: -0.136
local terms energy: -56.849004
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -161.713855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.713855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.713855 (E_RNA)
where:
Base-Base interactions energy: -97.512
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.006
local terms energy: -64.195358
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -12.070
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: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -89.512721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.512721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.512721 (E_RNA)
where:
Base-Base interactions energy: -42.762
where: short stacking energy: -36.738
Base-Backbone interact. energy: -0.072
local terms energy: -46.678540
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -78.758892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.758892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.758892 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -33.211
Base-Backbone interact. energy: -0.011
local terms energy: -45.324295
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -77.594050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.594050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.594050 (E_RNA)
where:
Base-Base interactions energy: -30.530
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.272
local terms energy: -46.791543
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -2.437
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -206.384975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.384975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.384975 (E_RNA)
where:
Base-Base interactions energy: -136.527
where: short stacking energy: -64.163
Base-Backbone interact. energy: -0.377
local terms energy: -69.481506
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -19.174
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: 464
Temperature: 0.950000
Total energy: -213.666811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.666811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.666811 (E_RNA)
where:
Base-Base interactions energy: -139.669
where: short stacking energy: -67.689
Base-Backbone interact. energy: -0.106
local terms energy: -73.891999
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -209.368713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.368713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.368713 (E_RNA)
where:
Base-Base interactions energy: -129.543
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.004
local terms energy: -79.821768
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -20.157
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: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -188.352813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.352813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.352813 (E_RNA)
where:
Base-Base interactions energy: -114.166
where: short stacking energy: -52.328
Base-Backbone interact. energy: -0.180
local terms energy: -74.007166
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -185.190929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.190929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.190929 (E_RNA)
where:
Base-Base interactions energy: -116.878
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.284
local terms energy: -68.028490
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -161.144749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.144749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.144749 (E_RNA)
where:
Base-Base interactions energy: -99.646
where: short stacking energy: -43.211
Base-Backbone interact. energy: -0.105
local terms energy: -61.393702
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -160.020067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.020067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.020067 (E_RNA)
where:
Base-Base interactions energy: -99.330
where: short stacking energy: -49.072
Base-Backbone interact. energy: -0.005
local terms energy: -60.685591
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -5.947
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: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -80.264675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.264675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.264675 (E_RNA)
where:
Base-Base interactions energy: -25.449
where: short stacking energy: -25.449
Base-Backbone interact. energy: -0.381
local terms energy: -54.434551
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -3.523
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: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -84.067275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.067275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.067275 (E_RNA)
where:
Base-Base interactions energy: -41.642
where: short stacking energy: -34.403
Base-Backbone interact. energy: -0.085
local terms energy: -42.340350
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -0.674
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -83.322531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.322531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.322531 (E_RNA)
where:
Base-Base interactions energy: -32.293
where: short stacking energy: -31.396
Base-Backbone interact. energy: -0.100
local terms energy: -50.930253
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -7.537
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: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -207.930660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.930660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.930660 (E_RNA)
where:
Base-Base interactions energy: -125.697
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.443
local terms energy: -81.790502
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -201.948848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.948848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.948848 (E_RNA)
where:
Base-Base interactions energy: -122.641
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.219
local terms energy: -79.089635
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -19.109
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: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -203.804032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.804032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.804032 (E_RNA)
where:
Base-Base interactions energy: -129.448
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.001
local terms energy: -74.355353
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -206.273304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.273304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.273304 (E_RNA)
where:
Base-Base interactions energy: -133.769
where: short stacking energy: -64.593
Base-Backbone interact. energy: -0.054
local terms energy: -72.450687
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -193.177227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.177227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.177227 (E_RNA)
where:
Base-Base interactions energy: -129.160
where: short stacking energy: -51.813
Base-Backbone interact. energy: -0.674
local terms energy: -63.343727
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -12.095
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -156.216857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.216857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.216857 (E_RNA)
where:
Base-Base interactions energy: -94.702
where: short stacking energy: -50.104
Base-Backbone interact. energy: 1.061
local terms energy: -62.576039
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -11.255
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: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -182.509425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.509425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.509425 (E_RNA)
where:
Base-Base interactions energy: -117.629
where: short stacking energy: -55.311
Base-Backbone interact. energy: -0.102
local terms energy: -64.778668
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -81.694673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.694673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.694673 (E_RNA)
where:
Base-Base interactions energy: -28.747
where: short stacking energy: -28.747
Base-Backbone interact. energy: -0.150
local terms energy: -52.797518
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -80.645618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.645618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.645618 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -37.091
Base-Backbone interact. energy: -0.069
local terms energy: -43.486321
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -88.931690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.931690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.931690 (E_RNA)
where:
Base-Base interactions energy: -41.537
where: short stacking energy: -40.913
Base-Backbone interact. energy: 0.102
local terms energy: -47.496805
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -4.982
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: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -205.908228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.908228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.908228 (E_RNA)
where:
Base-Base interactions energy: -133.682
where: short stacking energy: -66.625
Base-Backbone interact. energy: -0.057
local terms energy: -72.169025
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -9.827
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: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -210.191558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.191558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.191558 (E_RNA)
where:
Base-Base interactions energy: -139.714
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.120
local terms energy: -70.357451
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -197.643789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.643789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.643789 (E_RNA)
where:
Base-Base interactions energy: -131.462
where: short stacking energy: -62.977
Base-Backbone interact. energy: -0.023
local terms energy: -66.158610
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.124
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: 4, replica: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -204.879761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.879761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.879761 (E_RNA)
where:
Base-Base interactions energy: -131.007
where: short stacking energy: -54.769
Base-Backbone interact. energy: -0.590
local terms energy: -73.283090
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -9.950
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: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -163.485690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.485690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.485690 (E_RNA)
where:
Base-Base interactions energy: -101.657
where: short stacking energy: -53.962
Base-Backbone interact. energy: -0.044
local terms energy: -61.784399
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -182.449682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.449682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.449682 (E_RNA)
where:
Base-Base interactions energy: -121.823
where: short stacking energy: -53.419
Base-Backbone interact. energy: 0.015
local terms energy: -60.641549
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -10.333
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: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -182.830916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.830916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.830916 (E_RNA)
where:
Base-Base interactions energy: -120.445
where: short stacking energy: -49.290
Base-Backbone interact. energy: -0.159
local terms energy: -62.227580
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -15.157
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: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -97.253961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.253961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.253961 (E_RNA)
where:
Base-Base interactions energy: -43.626
where: short stacking energy: -34.150
Base-Backbone interact. energy: -1.101
local terms energy: -52.526673
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -68.689542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.689542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.689542 (E_RNA)
where:
Base-Base interactions energy: -20.433
where: short stacking energy: -18.538
Base-Backbone interact. energy: 0.784
local terms energy: -49.040195
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -78.083710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.083710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.083710 (E_RNA)
where:
Base-Base interactions energy: -24.519
where: short stacking energy: -23.749
Base-Backbone interact. energy: 0.315
local terms energy: -53.880131
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -210.610842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.610842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.610842 (E_RNA)
where:
Base-Base interactions energy: -137.024
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.064
local terms energy: -73.523416
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -201.366593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.366593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.366593 (E_RNA)
where:
Base-Base interactions energy: -128.340
where: short stacking energy: -66.381
Base-Backbone interact. energy: -0.265
local terms energy: -72.760775
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -16.872
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: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -192.259049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.259049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.259049 (E_RNA)
where:
Base-Base interactions energy: -128.438
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.148
local terms energy: -63.673401
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -200.541157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.541157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.541157 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.125
local terms energy: -74.384222
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -18.039
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: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -173.543870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.543870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.543870 (E_RNA)
where:
Base-Base interactions energy: -104.557
where: short stacking energy: -61.054
Base-Backbone interact. energy: -0.319
local terms energy: -68.667958
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -19.042
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: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -176.098899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.098899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.098899 (E_RNA)
where:
Base-Base interactions energy: -112.657
where: short stacking energy: -52.962
Base-Backbone interact. energy: -0.002
local terms energy: -63.440473
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -151.895302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.895302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.895302 (E_RNA)
where:
Base-Base interactions energy: -90.651
where: short stacking energy: -38.271
Base-Backbone interact. energy: 0.230
local terms energy: -61.474991
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -102.899895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.899895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.899895 (E_RNA)
where:
Base-Base interactions energy: -46.168
where: short stacking energy: -47.127
Base-Backbone interact. energy: -0.490
local terms energy: -56.241700
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -9.044
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -82.930662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.930662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.930662 (E_RNA)
where:
Base-Base interactions energy: -35.582
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.082
local terms energy: -47.265979
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -4.045
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: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -74.779673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.779673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.779673 (E_RNA)
where:
Base-Base interactions energy: -28.532
where: short stacking energy: -26.896
Base-Backbone interact. energy: -0.701
local terms energy: -45.546923
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -210.990013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.990013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.990013 (E_RNA)
where:
Base-Base interactions energy: -136.650
where: short stacking energy: -64.814
Base-Backbone interact. energy: -0.144
local terms energy: -74.196127
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -198.658021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.658021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.658021 (E_RNA)
where:
Base-Base interactions energy: -123.638
where: short stacking energy: -63.957
Base-Backbone interact. energy: -0.131
local terms energy: -74.888166
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -18.189
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: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -199.804699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.804699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.804699 (E_RNA)
where:
Base-Base interactions energy: -125.361
where: short stacking energy: -63.154
Base-Backbone interact. energy: -0.164
local terms energy: -74.279861
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -192.683334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.683334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.683334 (E_RNA)
where:
Base-Base interactions energy: -122.407
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.002
local terms energy: -70.274184
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -16.085
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: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -173.137473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.137473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.137473 (E_RNA)
where:
Base-Base interactions energy: -107.878
where: short stacking energy: -54.101
Base-Backbone interact. energy: -0.420
local terms energy: -64.839814
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -167.926457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.926457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.926457 (E_RNA)
where:
Base-Base interactions energy: -104.348
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.156
local terms energy: -63.422429
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -161.109028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.109028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.109028 (E_RNA)
where:
Base-Base interactions energy: -103.888
where: short stacking energy: -52.147
Base-Backbone interact. energy: -0.210
local terms energy: -57.010867
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -89.937530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.937530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.937530 (E_RNA)
where:
Base-Base interactions energy: -36.047
where: short stacking energy: -36.047
Base-Backbone interact. energy: -0.061
local terms energy: -53.829319
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -83.276286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.276286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.276286 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -28.862
Base-Backbone interact. energy: -0.247
local terms energy: -53.669139
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -96.469695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.469695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.469695 (E_RNA)
where:
Base-Base interactions energy: -38.648
where: short stacking energy: -38.648
Base-Backbone interact. energy: -0.098
local terms energy: -57.723072
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -195.427126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.427126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.427126 (E_RNA)
where:
Base-Base interactions energy: -128.515
where: short stacking energy: -61.858
Base-Backbone interact. energy: -0.122
local terms energy: -66.790220
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -13.823
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: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -190.424378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.424378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.424378 (E_RNA)
where:
Base-Base interactions energy: -115.547
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.402
local terms energy: -74.475616
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -16.853
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: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -199.023505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.023505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.023505 (E_RNA)
where:
Base-Base interactions energy: -128.942
where: short stacking energy: -59.525
Base-Backbone interact. energy: -0.280
local terms energy: -69.802085
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -163.123425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.123425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.123425 (E_RNA)
where:
Base-Base interactions energy: -95.942
where: short stacking energy: -39.091
Base-Backbone interact. energy: -0.101
local terms energy: -67.080624
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -193.193605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.193605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.193605 (E_RNA)
where:
Base-Base interactions energy: -126.718
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.006
local terms energy: -66.469384
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -164.438374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.438374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.438374 (E_RNA)
where:
Base-Base interactions energy: -103.705
where: short stacking energy: -47.601
Base-Backbone interact. energy: -0.429
local terms energy: -60.304985
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -165.976469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.976469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.976469 (E_RNA)
where:
Base-Base interactions energy: -104.712
where: short stacking energy: -55.342
Base-Backbone interact. energy: -0.585
local terms energy: -60.680128
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -11.913
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: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -85.571863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.571863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.571863 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -26.949
Base-Backbone interact. energy: -0.180
local terms energy: -45.158533
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -85.355894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.355894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.355894 (E_RNA)
where:
Base-Base interactions energy: -34.282
where: short stacking energy: -24.450
Base-Backbone interact. energy: 1.233
local terms energy: -52.306879
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -7.992
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -68.503032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.503032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.503032 (E_RNA)
where:
Base-Base interactions energy: -17.498
where: short stacking energy: -15.585
Base-Backbone interact. energy: -1.058
local terms energy: -49.946830
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -220.109127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.109127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.109127 (E_RNA)
where:
Base-Base interactions energy: -141.050
where: short stacking energy: -74.824
Base-Backbone interact. energy: -0.009
local terms energy: -79.050381
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -190.377579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.377579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.377579 (E_RNA)
where:
Base-Base interactions energy: -118.444
where: short stacking energy: -59.163
Base-Backbone interact. energy: -1.087
local terms energy: -70.846398
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -195.361684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.361684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.361684 (E_RNA)
where:
Base-Base interactions energy: -124.523
where: short stacking energy: -50.411
Base-Backbone interact. energy: -0.074
local terms energy: -70.765113
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -182.080834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.080834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.080834 (E_RNA)
where:
Base-Base interactions energy: -116.523
where: short stacking energy: -55.810
Base-Backbone interact. energy: -0.040
local terms energy: -65.518000
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -15.600
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: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -167.885748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.885748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.885748 (E_RNA)
where:
Base-Base interactions energy: -99.558
where: short stacking energy: -51.072
Base-Backbone interact. energy: -0.151
local terms energy: -68.176123
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -15.681
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: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -175.684530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.684530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.684530 (E_RNA)
where:
Base-Base interactions energy: -112.669
where: short stacking energy: -53.532
Base-Backbone interact. energy: -0.087
local terms energy: -62.928587
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -151.452941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.452941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.452941 (E_RNA)
where:
Base-Base interactions energy: -92.741
where: short stacking energy: -43.950
Base-Backbone interact. energy: 2.360
local terms energy: -61.072014
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -77.382529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.382529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.382529 (E_RNA)
where:
Base-Base interactions energy: -31.437
where: short stacking energy: -29.126
Base-Backbone interact. energy: 0.590
local terms energy: -46.535810
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -4.533
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: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -88.125588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.125588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.125588 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -26.378
Base-Backbone interact. energy: -0.010
local terms energy: -59.253157
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -80.698613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698613 (E_RNA)
where:
Base-Base interactions energy: -24.629
where: short stacking energy: -24.629
Base-Backbone interact. energy: 0.593
local terms energy: -56.662215
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -5.639
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: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -213.474516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.474516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.474516 (E_RNA)
where:
Base-Base interactions energy: -133.859
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.004
local terms energy: -79.611786
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -197.826226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.826226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.826226 (E_RNA)
where:
Base-Base interactions energy: -128.321
where: short stacking energy: -58.434
Base-Backbone interact. energy: -0.305
local terms energy: -69.200073
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -8.185
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: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -202.902901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.902901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.902901 (E_RNA)
where:
Base-Base interactions energy: -136.606
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.040
local terms energy: -66.256360
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -181.215535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.215535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.215535 (E_RNA)
where:
Base-Base interactions energy: -109.703
where: short stacking energy: -48.032
Base-Backbone interact. energy: -0.139
local terms energy: -71.373963
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -12.560
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: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -176.213341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.213341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.213341 (E_RNA)
where:
Base-Base interactions energy: -109.283
where: short stacking energy: -58.490
Base-Backbone interact. energy: -0.079
local terms energy: -66.851185
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -171.450946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.450946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.450946 (E_RNA)
where:
Base-Base interactions energy: -108.636
where: short stacking energy: -57.271
Base-Backbone interact. energy: -1.509
local terms energy: -61.305098
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -11.130
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: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -157.737792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.737792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.737792 (E_RNA)
where:
Base-Base interactions energy: -100.772
where: short stacking energy: -46.002
Base-Backbone interact. energy: -0.293
local terms energy: -56.672311
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -6.702
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: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -93.183705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.183705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.183705 (E_RNA)
where:
Base-Base interactions energy: -41.898
where: short stacking energy: -34.681
Base-Backbone interact. energy: 0.110
local terms energy: -51.395243
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -73.055179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.055179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.055179 (E_RNA)
where:
Base-Base interactions energy: -22.494
where: short stacking energy: -16.341
Base-Backbone interact. energy: -0.136
local terms energy: -50.425251
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -83.443552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.443552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.443552 (E_RNA)
where:
Base-Base interactions energy: -28.376
where: short stacking energy: -28.376
Base-Backbone interact. energy: 0.127
local terms energy: -55.194884
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -209.347109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.347109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.347109 (E_RNA)
where:
Base-Base interactions energy: -133.756
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.220
local terms energy: -75.371588
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -8.987
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: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -204.166936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.166936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.166936 (E_RNA)
where:
Base-Base interactions energy: -134.123
where: short stacking energy: -59.075
Base-Backbone interact. energy: 1.576
local terms energy: -71.620033
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -200.635011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.635011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.635011 (E_RNA)
where:
Base-Base interactions energy: -134.327
where: short stacking energy: -55.049
Base-Backbone interact. energy: -0.761
local terms energy: -65.547499
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -15.084
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: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -192.144733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.144733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.144733 (E_RNA)
where:
Base-Base interactions energy: -125.913
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.486
local terms energy: -65.745990
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -16.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -165.529312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.529312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.529312 (E_RNA)
where:
Base-Base interactions energy: -108.928
where: short stacking energy: -53.088
Base-Backbone interact. energy: -0.296
local terms energy: -56.305207
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -182.471988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.471988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.471988 (E_RNA)
where:
Base-Base interactions energy: -114.424
where: short stacking energy: -63.258
Base-Backbone interact. energy: -0.003
local terms energy: -68.045518
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -100.732039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.732039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.732039 (E_RNA)
where:
Base-Base interactions energy: -41.489
where: short stacking energy: -41.489
Base-Backbone interact. energy: -0.198
local terms energy: -59.045303
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -8.707
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: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -147.812490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.812490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.812490 (E_RNA)
where:
Base-Base interactions energy: -92.836
where: short stacking energy: -44.958
Base-Backbone interact. energy: -0.485
local terms energy: -54.491936
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -80.316028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.316028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.316028 (E_RNA)
where:
Base-Base interactions energy: -27.186
where: short stacking energy: -27.186
Base-Backbone interact. energy: -0.108
local terms energy: -53.022239
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -76.884228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.884228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.884228 (E_RNA)
where:
Base-Base interactions energy: -34.198
where: short stacking energy: -34.198
Base-Backbone interact. energy: -0.043
local terms energy: -42.643272
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -204.238465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.238465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.238465 (E_RNA)
where:
Base-Base interactions energy: -125.760
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.056
local terms energy: -78.423071
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -19.699
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -210.932783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.932783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.932783 (E_RNA)
where:
Base-Base interactions energy: -134.776
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.421
local terms energy: -75.735393
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -199.874625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.874625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.874625 (E_RNA)
where:
Base-Base interactions energy: -134.877
where: short stacking energy: -61.949
Base-Backbone interact. energy: -0.279
local terms energy: -64.718534
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -14.237
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: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -174.110306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.110306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.110306 (E_RNA)
where:
Base-Base interactions energy: -109.039
where: short stacking energy: -61.042
Base-Backbone interact. energy: -0.113
local terms energy: -64.957806
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -10.379
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: 5, replica: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -189.772026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.772026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.772026 (E_RNA)
where:
Base-Base interactions energy: -119.816
where: short stacking energy: -57.589
Base-Backbone interact. energy: -0.082
local terms energy: -69.874327
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -144.914773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.914773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.914773 (E_RNA)
where:
Base-Base interactions energy: -83.014
where: short stacking energy: -45.319
Base-Backbone interact. energy: -0.299
local terms energy: -61.601836
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -85.159162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.159162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.159162 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.445
local terms energy: -45.757216
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -2.814
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -144.832222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.832222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.832222 (E_RNA)
where:
Base-Base interactions energy: -89.859
where: short stacking energy: -41.133
Base-Backbone interact. energy: -0.072
local terms energy: -54.901013
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -96.416612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.416612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.416612 (E_RNA)
where:
Base-Base interactions energy: -50.559
where: short stacking energy: -41.541
Base-Backbone interact. energy: -0.008
local terms energy: -45.849539
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -5.232
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -81.689247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.689247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.689247 (E_RNA)
where:
Base-Base interactions energy: -39.718
where: short stacking energy: -38.975
Base-Backbone interact. energy: -0.096
local terms energy: -41.875722
where:
bonds (distance) C4'-P energy: -5.901
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -1.581
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -213.770197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.770197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.770197 (E_RNA)
where:
Base-Base interactions energy: -140.571
where: short stacking energy: -66.885
Base-Backbone interact. energy: -0.095
local terms energy: -73.104956
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -208.079694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.079694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.079694 (E_RNA)
where:
Base-Base interactions energy: -141.156
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.235
local terms energy: -66.688390
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -205.672401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.672401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.672401 (E_RNA)
where:
Base-Base interactions energy: -137.123
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.098
local terms energy: -68.451351
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -172.495622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.495622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.495622 (E_RNA)
where:
Base-Base interactions energy: -104.917
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.207
local terms energy: -67.372078
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -181.750402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.750402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.750402 (E_RNA)
where:
Base-Base interactions energy: -120.175
where: short stacking energy: -56.956
Base-Backbone interact. energy: -0.104
local terms energy: -61.471530
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -151.406503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.406503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.406503 (E_RNA)
where:
Base-Base interactions energy: -85.633
where: short stacking energy: -48.884
Base-Backbone interact. energy: -0.331
local terms energy: -65.443129
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -149.501503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.501503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.501503 (E_RNA)
where:
Base-Base interactions energy: -92.962
where: short stacking energy: -46.643
Base-Backbone interact. energy: 0.110
local terms energy: -56.650248
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -97.104797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.104797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.104797 (E_RNA)
where:
Base-Base interactions energy: -37.739
where: short stacking energy: -37.739
Base-Backbone interact. energy: -0.031
local terms energy: -59.334356
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -86.986544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.986544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.986544 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -37.727
Base-Backbone interact. energy: -0.078
local terms energy: -49.181826
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -6.764
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -72.279194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.279194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.279194 (E_RNA)
where:
Base-Base interactions energy: -31.908
where: short stacking energy: -27.243
Base-Backbone interact. energy: -0.120
local terms energy: -40.251346
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -7.592
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: 3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -214.264288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.264288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.264288 (E_RNA)
where:
Base-Base interactions energy: -137.174
where: short stacking energy: -60.884
Base-Backbone interact. energy: -0.271
local terms energy: -76.819095
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -208.565583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.565583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.565583 (E_RNA)
where:
Base-Base interactions energy: -135.482
where: short stacking energy: -64.625
Base-Backbone interact. energy: -0.310
local terms energy: -72.774105
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -9.754
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: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -195.341503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.341503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.341503 (E_RNA)
where:
Base-Base interactions energy: -134.712
where: short stacking energy: -60.247
Base-Backbone interact. energy: 0.999
local terms energy: -61.628465
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -199.825296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.825296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.825296 (E_RNA)
where:
Base-Base interactions energy: -134.535
where: short stacking energy: -73.311
Base-Backbone interact. energy: -0.006
local terms energy: -65.283422
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -174.038351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.038351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.038351 (E_RNA)
where:
Base-Base interactions energy: -113.314
where: short stacking energy: -49.460
Base-Backbone interact. energy: 1.629
local terms energy: -62.353173
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -132.490887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.490887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.490887 (E_RNA)
where:
Base-Base interactions energy: -64.724
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.844
local terms energy: -66.923273
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -9.643
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: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -146.698706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.698706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.698706 (E_RNA)
where:
Base-Base interactions energy: -95.176
where: short stacking energy: -44.311
Base-Backbone interact. energy: -0.604
local terms energy: -50.918999
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: 1.734
tors. eta vs tors. theta energy: -9.188
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: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -100.442646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.442646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.442646 (E_RNA)
where:
Base-Base interactions energy: -40.915
where: short stacking energy: -40.915
Base-Backbone interact. energy: -0.073
local terms energy: -59.454794
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -81.322917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.322917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.322917 (E_RNA)
where:
Base-Base interactions energy: -33.684
where: short stacking energy: -23.549
Base-Backbone interact. energy: 1.185
local terms energy: -48.823602
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -74.697927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.697927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.697927 (E_RNA)
where:
Base-Base interactions energy: -27.855
where: short stacking energy: -25.550
Base-Backbone interact. energy: -0.026
local terms energy: -46.817175
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -1.140
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: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -221.105670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.105670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.105670 (E_RNA)
where:
Base-Base interactions energy: -145.580
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.141
local terms energy: -75.384583
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -20.378
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: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -205.713225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.713225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.713225 (E_RNA)
where:
Base-Base interactions energy: -132.071
where: short stacking energy: -67.388
Base-Backbone interact. energy: -0.005
local terms energy: -73.637128
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -6.545
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: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -201.445333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.445333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.445333 (E_RNA)
where:
Base-Base interactions energy: -127.488
where: short stacking energy: -55.260
Base-Backbone interact. energy: -0.837
local terms energy: -73.119664
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -200.379081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.379081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.379081 (E_RNA)
where:
Base-Base interactions energy: -123.629
where: short stacking energy: -62.098
Base-Backbone interact. energy: -0.199
local terms energy: -76.551248
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -152.240308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.240308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.240308 (E_RNA)
where:
Base-Base interactions energy: -98.416
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.107
local terms energy: -53.716854
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -137.670571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.670571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.670571 (E_RNA)
where:
Base-Base interactions energy: -77.226
where: short stacking energy: -49.709
Base-Backbone interact. energy: -0.083
local terms energy: -60.361796
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -134.109545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.109545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.109545 (E_RNA)
where:
Base-Base interactions energy: -78.072
where: short stacking energy: -34.027
Base-Backbone interact. energy: -0.018
local terms energy: -56.019468
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -87.413379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.413379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.413379 (E_RNA)
where:
Base-Base interactions energy: -31.795
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.231
local terms energy: -55.386799
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -76.991645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.991645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.991645 (E_RNA)
where:
Base-Base interactions energy: -28.054
where: short stacking energy: -28.054
Base-Backbone interact. energy: -0.323
local terms energy: -48.615543
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -81.101714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.101714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.101714 (E_RNA)
where:
Base-Base interactions energy: -24.106
where: short stacking energy: -24.106
Base-Backbone interact. energy: -0.080
local terms energy: -56.915014
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -214.262810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262810 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -62.065
Base-Backbone interact. energy: -0.334
local terms energy: -72.927440
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -20.192
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: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -205.517069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.517069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.517069 (E_RNA)
where:
Base-Base interactions energy: -134.090
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.014
local terms energy: -71.413842
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -205.459494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.459494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.459494 (E_RNA)
where:
Base-Base interactions energy: -139.528
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.131
local terms energy: -65.800336
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -15.560
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: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -199.797337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.797337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.797337 (E_RNA)
where:
Base-Base interactions energy: -130.529
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.224
local terms energy: -69.043771
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -196.541310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.541310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.541310 (E_RNA)
where:
Base-Base interactions energy: -129.231
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.002
local terms energy: -67.308408
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -136.505811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.505811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.505811 (E_RNA)
where:
Base-Base interactions energy: -77.950
where: short stacking energy: -44.417
Base-Backbone interact. energy: -0.071
local terms energy: -58.484425
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -89.524586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524586 (E_RNA)
where:
Base-Base interactions energy: -36.819
where: short stacking energy: -36.819
Base-Backbone interact. energy: -0.293
local terms energy: -52.413045
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -4.149
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: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -81.238092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.238092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.238092 (E_RNA)
where:
Base-Base interactions energy: -27.684
where: short stacking energy: -17.266
Base-Backbone interact. energy: -0.027
local terms energy: -53.526808
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -0.771
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: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -82.178940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.178940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.178940 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -26.086
Base-Backbone interact. energy: -0.108
local terms energy: -45.701935
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -8.495
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: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -77.002438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.002438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.002438 (E_RNA)
where:
Base-Base interactions energy: -29.643
where: short stacking energy: -29.643
Base-Backbone interact. energy: 0.641
local terms energy: -48.000692
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -11.722
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: 478
Temperature: 0.900000
Total energy: -202.909546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.909546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.909546 (E_RNA)
where:
Base-Base interactions energy: -127.548
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.308
local terms energy: -75.053246
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -196.848216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.848216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.848216 (E_RNA)
where:
Base-Base interactions energy: -129.657
where: short stacking energy: -60.007
Base-Backbone interact. energy: -0.483
local terms energy: -66.708989
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -200.914114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.914114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.914114 (E_RNA)
where:
Base-Base interactions energy: -124.362
where: short stacking energy: -59.180
Base-Backbone interact. energy: -0.002
local terms energy: -76.549862
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -194.326665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.326665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.326665 (E_RNA)
where:
Base-Base interactions energy: -129.743
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.168
local terms energy: -64.416022
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -187.376439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.376439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.376439 (E_RNA)
where:
Base-Base interactions energy: -118.690
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.004
local terms energy: -68.682250
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -11.259
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: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -178.383047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.383047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.383047 (E_RNA)
where:
Base-Base interactions energy: -117.477
where: short stacking energy: -55.197
Base-Backbone interact. energy: -0.221
local terms energy: -60.685896
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -11.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -85.758730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.758730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.758730 (E_RNA)
where:
Base-Base interactions energy: -28.928
where: short stacking energy: -28.928
Base-Backbone interact. energy: 0.198
local terms energy: -57.028742
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -5.514
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: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -75.995059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.995059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.995059 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.323
local terms energy: -46.576785
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: 4.754
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: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -81.122909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.122909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.122909 (E_RNA)
where:
Base-Base interactions energy: -28.811
where: short stacking energy: -26.817
Base-Backbone interact. energy: -0.285
local terms energy: -52.026743
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -7.954
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -84.669870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.669870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.669870 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.632
local terms energy: -46.959888
where:
bonds (distance) C4'-P energy: -7.189
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -3.582
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: 479
Temperature: 0.900000
Total energy: -204.599310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.599310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.599310 (E_RNA)
where:
Base-Base interactions energy: -130.168
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.148
local terms energy: -74.283154
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -210.367194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.367194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.367194 (E_RNA)
where:
Base-Base interactions energy: -135.439
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.616
local terms energy: -74.312720
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -201.632820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.632820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.632820 (E_RNA)
where:
Base-Base interactions energy: -135.007
where: short stacking energy: -70.846
Base-Backbone interact. energy: -0.008
local terms energy: -66.617794
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -22.759
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: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -198.281203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.281203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.281203 (E_RNA)
where:
Base-Base interactions energy: -126.563
where: short stacking energy: -61.850
Base-Backbone interact. energy: -0.059
local terms energy: -71.659340
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -19.188
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: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -195.682156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.682156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.682156 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.220
local terms energy: -67.419952
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -102.266632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.266632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.266632 (E_RNA)
where:
Base-Base interactions energy: -44.907
where: short stacking energy: -44.907
Base-Backbone interact. energy: 0.323
local terms energy: -57.682285
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -8.376
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: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -183.408623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.408623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.408623 (E_RNA)
where:
Base-Base interactions energy: -114.743
where: short stacking energy: -54.218
Base-Backbone interact. energy: -0.071
local terms energy: -68.594566
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -16.510
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: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -100.403514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.403514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.403514 (E_RNA)
where:
Base-Base interactions energy: -45.543
where: short stacking energy: -39.599
Base-Backbone interact. energy: -0.192
local terms energy: -54.668126
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -2.417
tors. eta vs tors. theta energy: -9.162
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: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -78.136356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.136356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.136356 (E_RNA)
where:
Base-Base interactions energy: -32.335
where: short stacking energy: -26.759
Base-Backbone interact. energy: -0.180
local terms energy: -45.621066
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: 0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -81.128433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.128433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.128433 (E_RNA)
where:
Base-Base interactions energy: -38.234
where: short stacking energy: -38.234
Base-Backbone interact. energy: -0.090
local terms energy: -42.804109
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -213.565051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.565051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.565051 (E_RNA)
where:
Base-Base interactions energy: -135.729
where: short stacking energy: -72.968
Base-Backbone interact. energy: -0.011
local terms energy: -77.825041
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -203.958834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.958834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.958834 (E_RNA)
where:
Base-Base interactions energy: -131.826
where: short stacking energy: -61.537
Base-Backbone interact. energy: -0.061
local terms energy: -72.071194
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -199.897285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.897285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.897285 (E_RNA)
where:
Base-Base interactions energy: -135.460
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.262
local terms energy: -64.175568
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -18.457
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: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -200.057814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.057814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.057814 (E_RNA)
where:
Base-Base interactions energy: -125.457
where: short stacking energy: -61.061
Base-Backbone interact. energy: 1.009
local terms energy: -75.609305
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.192
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: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -181.641205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.641205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.641205 (E_RNA)
where:
Base-Base interactions energy: -112.885
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.022
local terms energy: -68.734664
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -98.292575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.292575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.292575 (E_RNA)
where:
Base-Base interactions energy: -38.090
where: short stacking energy: -38.866
Base-Backbone interact. energy: -0.216
local terms energy: -59.987115
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -4.023
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: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -173.807041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.807041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.807041 (E_RNA)
where:
Base-Base interactions energy: -108.072
where: short stacking energy: -48.927
Base-Backbone interact. energy: 0.220
local terms energy: -65.955303
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -7.859
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: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -80.243273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243273 (E_RNA)
where:
Base-Base interactions energy: -35.676
where: short stacking energy: -35.676
Base-Backbone interact. energy: -0.083
local terms energy: -44.483970
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -7.412
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -0.695
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: 480
Temperature: 1.300000
Total energy: -85.213431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.213431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.213431 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -28.434
Base-Backbone interact. energy: -0.907
local terms energy: -53.019896
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -81.479974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.479974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.479974 (E_RNA)
where:
Base-Base interactions energy: -25.048
where: short stacking energy: -24.987
Base-Backbone interact. energy: -0.050
local terms energy: -56.382357
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -214.949561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.949561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.949561 (E_RNA)
where:
Base-Base interactions energy: -133.377
where: short stacking energy: -73.368
Base-Backbone interact. energy: -0.399
local terms energy: -81.173940
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -207.953966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.953966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.953966 (E_RNA)
where:
Base-Base interactions energy: -127.115
where: short stacking energy: -62.460
Base-Backbone interact. energy: -0.591
local terms energy: -80.247997
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -194.806793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.806793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.806793 (E_RNA)
where:
Base-Base interactions energy: -124.132
where: short stacking energy: -65.176
Base-Backbone interact. energy: -0.012
local terms energy: -70.662642
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -200.458985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.458985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.458985 (E_RNA)
where:
Base-Base interactions energy: -128.236
where: short stacking energy: -60.591
Base-Backbone interact. energy: -0.192
local terms energy: -72.030408
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -9.540
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: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -178.461735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.461735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.461735 (E_RNA)
where:
Base-Base interactions energy: -118.910
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.089
local terms energy: -59.462725
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -7.785
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -14.068
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: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -176.095784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.095784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.095784 (E_RNA)
where:
Base-Base interactions energy: -113.348
where: short stacking energy: -54.042
Base-Backbone interact. energy: -0.830
local terms energy: -61.917938
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -100.342580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.342580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.342580 (E_RNA)
where:
Base-Base interactions energy: -53.842
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.496
local terms energy: -46.004093
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -6.641
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: 0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -91.711740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.711740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.711740 (E_RNA)
where:
Base-Base interactions energy: -47.720
where: short stacking energy: -41.000
Base-Backbone interact. energy: -0.081
local terms energy: -43.911052
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -4.540
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: 481
Temperature: 1.300000
Total energy: -88.604950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.604950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.604950 (E_RNA)
where:
Base-Base interactions energy: -33.445
where: short stacking energy: -33.222
Base-Backbone interact. energy: 1.147
local terms energy: -56.307043
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -73.162012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.162012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.162012 (E_RNA)
where:
Base-Base interactions energy: -29.460
where: short stacking energy: -24.739
Base-Backbone interact. energy: -0.975
local terms energy: -42.727557
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -209.044161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.044161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.044161 (E_RNA)
where:
Base-Base interactions energy: -131.943
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.103
local terms energy: -76.998064
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -18.824
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: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -214.915042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.915042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.915042 (E_RNA)
where:
Base-Base interactions energy: -138.527
where: short stacking energy: -74.455
Base-Backbone interact. energy: -0.005
local terms energy: -76.383147
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -203.253555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.253555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.253555 (E_RNA)
where:
Base-Base interactions energy: -126.295
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.705
local terms energy: -76.253336
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -18.574
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: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -190.036629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.036629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.036629 (E_RNA)
where:
Base-Base interactions energy: -126.507
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.011
local terms energy: -63.518446
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -14.923
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: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -190.644288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.644288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.644288 (E_RNA)
where:
Base-Base interactions energy: -128.238
where: short stacking energy: -45.937
Base-Backbone interact. energy: -1.044
local terms energy: -61.362705
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -163.481488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.481488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.481488 (E_RNA)
where:
Base-Base interactions energy: -109.136
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.558
local terms energy: -53.787293
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -12.879
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: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -99.288506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.288506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.288506 (E_RNA)
where:
Base-Base interactions energy: -36.166
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.003
local terms energy: -63.118887
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -77.694831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.694831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.694831 (E_RNA)
where:
Base-Base interactions energy: -38.025
where: short stacking energy: -34.244
Base-Backbone interact. energy: -0.385
local terms energy: -39.285110
where:
bonds (distance) C4'-P energy: -5.206
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: 1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -77.762396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.762396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.762396 (E_RNA)
where:
Base-Base interactions energy: -28.070
where: short stacking energy: -28.070
Base-Backbone interact. energy: -0.129
local terms energy: -49.563719
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -3.837
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: 482
Temperature: 1.350000
Total energy: -75.563309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.563309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.563309 (E_RNA)
where:
Base-Base interactions energy: -32.322
where: short stacking energy: -26.554
Base-Backbone interact. energy: -0.211
local terms energy: -43.030224
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: 0.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -207.498830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.498830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.498830 (E_RNA)
where:
Base-Base interactions energy: -135.960
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.002
local terms energy: -71.536812
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -10.655
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: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -197.816976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.816976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.816976 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -60.812
Base-Backbone interact. energy: 0.287
local terms energy: -69.545745
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -19.188
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: 483
Temperature: 1.000000
Total energy: -201.681816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.681816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.681816 (E_RNA)
where:
Base-Base interactions energy: -133.913
where: short stacking energy: -63.480
Base-Backbone interact. energy: -0.092
local terms energy: -67.676899
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -18.703
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: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -187.878805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.878805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.878805 (E_RNA)
where:
Base-Base interactions energy: -128.563
where: short stacking energy: -52.362
Base-Backbone interact. energy: -2.298
local terms energy: -57.017197
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -197.750448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.750448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.750448 (E_RNA)
where:
Base-Base interactions energy: -124.935
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.233
local terms energy: -72.583001
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -163.876974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.876974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.876974 (E_RNA)
where:
Base-Base interactions energy: -102.796
where: short stacking energy: -43.455
Base-Backbone interact. energy: 2.231
local terms energy: -63.312105
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -11.931
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: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -106.105059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.105059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.105059 (E_RNA)
where:
Base-Base interactions energy: -44.808
where: short stacking energy: -44.808
Base-Backbone interact. energy: -0.046
local terms energy: -61.250991
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -8.482
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: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -78.596322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.596322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.596322 (E_RNA)
where:
Base-Base interactions energy: -29.194
where: short stacking energy: -16.803
Base-Backbone interact. energy: -0.683
local terms energy: -48.718945
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -0.558
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: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -74.971114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.971114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.971114 (E_RNA)
where:
Base-Base interactions energy: -20.560
where: short stacking energy: -16.937
Base-Backbone interact. energy: -0.319
local terms energy: -54.092126
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -85.341627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341627 (E_RNA)
where:
Base-Base interactions energy: -31.874
where: short stacking energy: -31.106
Base-Backbone interact. energy: 0.313
local terms energy: -53.780257
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -1.982
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: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -199.405563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.405563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.405563 (E_RNA)
where:
Base-Base interactions energy: -121.127
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.015
local terms energy: -78.263664
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -18.955
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: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -208.856944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.856944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.856944 (E_RNA)
where:
Base-Base interactions energy: -134.810
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.065
local terms energy: -73.982770
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -21.666
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: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -201.394097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.394097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.394097 (E_RNA)
where:
Base-Base interactions energy: -131.739
where: short stacking energy: -64.610
Base-Backbone interact. energy: -0.065
local terms energy: -69.590668
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -197.172174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.172174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.172174 (E_RNA)
where:
Base-Base interactions energy: -129.565
where: short stacking energy: -63.756
Base-Backbone interact. energy: 0.050
local terms energy: -67.656530
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -193.866010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.866010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.866010 (E_RNA)
where:
Base-Base interactions energy: -127.134
where: short stacking energy: -57.540
Base-Backbone interact. energy: -0.115
local terms energy: -66.616710
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -170.568103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.568103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.568103 (E_RNA)
where:
Base-Base interactions energy: -114.948
where: short stacking energy: -48.196
Base-Backbone interact. energy: -0.138
local terms energy: -55.481572
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -9.874
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -13.295
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: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -83.724487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.724487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.724487 (E_RNA)
where:
Base-Base interactions energy: -43.210
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.343
local terms energy: -40.171544
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: 3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -87.316398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.316398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.316398 (E_RNA)
where:
Base-Base interactions energy: -29.208
where: short stacking energy: -29.208
Base-Backbone interact. energy: 0.196
local terms energy: -58.305121
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -5.907
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: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -81.587970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.587970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.587970 (E_RNA)
where:
Base-Base interactions energy: -27.773
where: short stacking energy: -27.061
Base-Backbone interact. energy: -0.237
local terms energy: -53.578250
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -85.884359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.884359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.884359 (E_RNA)
where:
Base-Base interactions energy: -35.748
where: short stacking energy: -28.582
Base-Backbone interact. energy: 0.459
local terms energy: -50.594964
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -4.267
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: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -209.692996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.692996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.692996 (E_RNA)
where:
Base-Base interactions energy: -127.828
where: short stacking energy: -61.396
Base-Backbone interact. energy: -0.122
local terms energy: -81.743851
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -201.311299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.311299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.311299 (E_RNA)
where:
Base-Base interactions energy: -127.879
where: short stacking energy: -60.458
Base-Backbone interact. energy: -0.102
local terms energy: -73.330598
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -197.110276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.110276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.110276 (E_RNA)
where:
Base-Base interactions energy: -128.415
where: short stacking energy: -63.916
Base-Backbone interact. energy: -0.963
local terms energy: -67.731597
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -180.631514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.631514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.631514 (E_RNA)
where:
Base-Base interactions energy: -115.479
where: short stacking energy: -49.223
Base-Backbone interact. energy: -0.586
local terms energy: -64.566050
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -10.665
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: 485
Temperature: 1.100000
Total energy: -191.376690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.376690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.376690 (E_RNA)
where:
Base-Base interactions energy: -125.719
where: short stacking energy: -58.969
Base-Backbone interact. energy: -0.033
local terms energy: -65.624488
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -154.146034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.146034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.146034 (E_RNA)
where:
Base-Base interactions energy: -98.486
where: short stacking energy: -43.531
Base-Backbone interact. energy: 0.909
local terms energy: -56.568316
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -8.990
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: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -108.048517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.048517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.048517 (E_RNA)
where:
Base-Base interactions energy: -57.730
where: short stacking energy: -38.346
Base-Backbone interact. energy: -0.277
local terms energy: -50.041106
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -92.064393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064393 (E_RNA)
where:
Base-Base interactions energy: -38.804
where: short stacking energy: -38.804
Base-Backbone interact. energy: -0.223
local terms energy: -53.037333
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -7.407
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: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -79.931499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.931499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.931499 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -32.866
Base-Backbone interact. energy: 2.379
local terms energy: -49.444005
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -75.702811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.702811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.702811 (E_RNA)
where:
Base-Base interactions energy: -28.208
where: short stacking energy: -28.208
Base-Backbone interact. energy: -0.107
local terms energy: -47.388322
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -205.376537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.376537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.376537 (E_RNA)
where:
Base-Base interactions energy: -127.526
where: short stacking energy: -63.845
Base-Backbone interact. energy: -1.749
local terms energy: -76.101211
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -191.852628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.852628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.852628 (E_RNA)
where:
Base-Base interactions energy: -128.132
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.002
local terms energy: -63.719037
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -15.886
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: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -202.121407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.121407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.121407 (E_RNA)
where:
Base-Base interactions energy: -135.593
where: short stacking energy: -62.338
Base-Backbone interact. energy: 0.121
local terms energy: -66.649175
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -188.981752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.981752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.981752 (E_RNA)
where:
Base-Base interactions energy: -119.093
where: short stacking energy: -48.875
Base-Backbone interact. energy: 0.118
local terms energy: -70.006643
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -193.315558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.315558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.315558 (E_RNA)
where:
Base-Base interactions energy: -125.049
where: short stacking energy: -53.552
Base-Backbone interact. energy: 2.491
local terms energy: -70.757167
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -178.287129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.287129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.287129 (E_RNA)
where:
Base-Base interactions energy: -115.267
where: short stacking energy: -58.502
Base-Backbone interact. energy: -1.458
local terms energy: -61.562872
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -87.362188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.362188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.362188 (E_RNA)
where:
Base-Base interactions energy: -30.496
where: short stacking energy: -30.136
Base-Backbone interact. energy: 1.955
local terms energy: -58.821602
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -8.112
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -12.996
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: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -90.298036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.298036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.298036 (E_RNA)
where:
Base-Base interactions energy: -43.326
where: short stacking energy: -41.328
Base-Backbone interact. energy: -0.093
local terms energy: -46.879696
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -2.574
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -73.253183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.253183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.253183 (E_RNA)
where:
Base-Base interactions energy: -26.332
where: short stacking energy: -26.332
Base-Backbone interact. energy: 0.188
local terms energy: -47.109286
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -71.869686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.869686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.869686 (E_RNA)
where:
Base-Base interactions energy: -23.905
where: short stacking energy: -24.505
Base-Backbone interact. energy: -0.006
local terms energy: -47.958575
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -4.771
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: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -215.701021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.701021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.701021 (E_RNA)
where:
Base-Base interactions energy: -135.856
where: short stacking energy: -68.685
Base-Backbone interact. energy: -0.106
local terms energy: -79.739208
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -210.033920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.033920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.033920 (E_RNA)
where:
Base-Base interactions energy: -136.107
where: short stacking energy: -57.663
Base-Backbone interact. energy: -0.063
local terms energy: -73.863425
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -197.543893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.543893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.543893 (E_RNA)
where:
Base-Base interactions energy: -126.338
where: short stacking energy: -63.403
Base-Backbone interact. energy: -1.051
local terms energy: -70.154370
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -7.524
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: 4, replica: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -193.175792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.175792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.175792 (E_RNA)
where:
Base-Base interactions energy: -119.610
where: short stacking energy: -61.839
Base-Backbone interact. energy: -0.167
local terms energy: -73.398641
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -182.366617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.366617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.366617 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -55.691
Base-Backbone interact. energy: 0.117
local terms energy: -64.768272
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -12.929
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: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -173.673774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.673774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.673774 (E_RNA)
where:
Base-Base interactions energy: -104.889
where: short stacking energy: -57.031
Base-Backbone interact. energy: 0.246
local terms energy: -69.031253
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -147.849103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.849103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.849103 (E_RNA)
where:
Base-Base interactions energy: -96.621
where: short stacking energy: -41.878
Base-Backbone interact. energy: -0.868
local terms energy: -50.360241
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -91.241232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.241232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.241232 (E_RNA)
where:
Base-Base interactions energy: -37.617
where: short stacking energy: -29.193
Base-Backbone interact. energy: -0.817
local terms energy: -52.807763
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -7.431
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: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -80.546947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546947 (E_RNA)
where:
Base-Base interactions energy: -42.727
where: short stacking energy: -22.201
Base-Backbone interact. energy: 0.343
local terms energy: -38.163375
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: 4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -88.788986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.788986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.788986 (E_RNA)
where:
Base-Base interactions energy: -38.548
where: short stacking energy: -33.360
Base-Backbone interact. energy: -0.614
local terms energy: -49.626600
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -7.062
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -210.806152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.806152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.806152 (E_RNA)
where:
Base-Base interactions energy: -134.588
where: short stacking energy: -58.935
Base-Backbone interact. energy: -0.248
local terms energy: -75.970378
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -209.503611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.503611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.503611 (E_RNA)
where:
Base-Base interactions energy: -134.126
where: short stacking energy: -68.697
Base-Backbone interact. energy: -0.435
local terms energy: -74.942343
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -21.428
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: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -195.684968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.684968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.684968 (E_RNA)
where:
Base-Base interactions energy: -123.933
where: short stacking energy: -54.545
Base-Backbone interact. energy: -0.759
local terms energy: -70.992934
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -3.827
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -193.756130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.756130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.756130 (E_RNA)
where:
Base-Base interactions energy: -122.394
where: short stacking energy: -58.027
Base-Backbone interact. energy: 0.031
local terms energy: -71.392470
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -182.932913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.932913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.932913 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -50.678
Base-Backbone interact. energy: -0.005
local terms energy: -61.732905
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -14.798
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: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -179.598369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.598369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.598369 (E_RNA)
where:
Base-Base interactions energy: -114.350
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.002
local terms energy: -65.245758
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -16.469
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: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -169.543479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.543479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.543479 (E_RNA)
where:
Base-Base interactions energy: -109.294
where: short stacking energy: -47.980
Base-Backbone interact. energy: -0.426
local terms energy: -59.824100
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -85.870401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.870401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.870401 (E_RNA)
where:
Base-Base interactions energy: -37.519
where: short stacking energy: -37.519
Base-Backbone interact. energy: -0.890
local terms energy: -47.462182
where:
bonds (distance) C4'-P energy: -8.412
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -4.834
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: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -82.746050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.746050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.746050 (E_RNA)
where:
Base-Base interactions energy: -29.500
where: short stacking energy: -23.454
Base-Backbone interact. energy: -0.236
local terms energy: -53.009661
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -2.765
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: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -75.218125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.218125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.218125 (E_RNA)
where:
Base-Base interactions energy: -19.712
where: short stacking energy: -18.685
Base-Backbone interact. energy: 0.043
local terms energy: -55.550031
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -1.995
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: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -203.338091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.338091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.338091 (E_RNA)
where:
Base-Base interactions energy: -131.781
where: short stacking energy: -56.263
Base-Backbone interact. energy: 0.344
local terms energy: -71.901009
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -11.156
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: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -211.026401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.026401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.026401 (E_RNA)
where:
Base-Base interactions energy: -133.265
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.020
local terms energy: -77.741598
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -208.067307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.067307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.067307 (E_RNA)
where:
Base-Base interactions energy: -136.182
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.011
local terms energy: -71.873785
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -196.125249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.125249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.125249 (E_RNA)
where:
Base-Base interactions energy: -133.870
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.063
local terms energy: -62.192090
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -16.267
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: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -186.154974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.154974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.154974 (E_RNA)
where:
Base-Base interactions energy: -123.329
where: short stacking energy: -52.504
Base-Backbone interact. energy: -0.231
local terms energy: -62.594572
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -7.760
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: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -172.932908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.932908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.932908 (E_RNA)
where:
Base-Base interactions energy: -117.286
where: short stacking energy: -47.838
Base-Backbone interact. energy: -0.169
local terms energy: -55.477275
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -10.059
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: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -180.895228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.895228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.895228 (E_RNA)
where:
Base-Base interactions energy: -119.560
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.997
local terms energy: -60.338036
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -3.793
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: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -93.009623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.009623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.009623 (E_RNA)
where:
Base-Base interactions energy: -44.990
where: short stacking energy: -26.846
Base-Backbone interact. energy: 0.595
local terms energy: -48.615034
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -88.907327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.907327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.907327 (E_RNA)
where:
Base-Base interactions energy: -29.507
where: short stacking energy: -29.507
Base-Backbone interact. energy: -0.091
local terms energy: -59.308937
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -77.631425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.631425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.631425 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -20.091
Base-Backbone interact. energy: -0.059
local terms energy: -47.739611
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: 0.490
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: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -211.279167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.279167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.279167 (E_RNA)
where:
Base-Base interactions energy: -136.901
where: short stacking energy: -69.105
Base-Backbone interact. energy: -0.004
local terms energy: -74.373951
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -201.252391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.252391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.252391 (E_RNA)
where:
Base-Base interactions energy: -126.626
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.089
local terms energy: -74.536998
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -198.646900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.646900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.646900 (E_RNA)
where:
Base-Base interactions energy: -125.801
where: short stacking energy: -60.804
Base-Backbone interact. energy: -0.132
local terms energy: -72.714672
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -196.619303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.619303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.619303 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -57.472
Base-Backbone interact. energy: -0.001
local terms energy: -74.186728
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -186.667081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.667081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.667081 (E_RNA)
where:
Base-Base interactions energy: -120.453
where: short stacking energy: -56.397
Base-Backbone interact. energy: -0.132
local terms energy: -66.081591
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -161.406804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.406804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.406804 (E_RNA)
where:
Base-Base interactions energy: -100.200
where: short stacking energy: -48.808
Base-Backbone interact. energy: 0.117
local terms energy: -61.324357
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -9.930
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: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -188.793176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.793176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.793176 (E_RNA)
where:
Base-Base interactions energy: -117.169
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.107
local terms energy: -71.517235
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -93.999472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.999472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.999472 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -35.230
Base-Backbone interact. energy: -0.208
local terms energy: -56.603924
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -76.999208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.999208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.999208 (E_RNA)
where:
Base-Base interactions energy: -31.309
where: short stacking energy: -31.031
Base-Backbone interact. energy: -0.456
local terms energy: -45.234104
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -73.566624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.566624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.566624 (E_RNA)
where:
Base-Base interactions energy: -28.749
where: short stacking energy: -26.816
Base-Backbone interact. energy: 0.095
local terms energy: -44.912421
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -1.562
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: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -206.078671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.078671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.078671 (E_RNA)
where:
Base-Base interactions energy: -139.754
where: short stacking energy: -59.749
Base-Backbone interact. energy: -0.416
local terms energy: -65.908748
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -212.189529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.189529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.189529 (E_RNA)
where:
Base-Base interactions energy: -141.810
where: short stacking energy: -60.942
Base-Backbone interact. energy: -0.968
local terms energy: -69.411374
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.561
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: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -199.090793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.090793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.090793 (E_RNA)
where:
Base-Base interactions energy: -123.964
where: short stacking energy: -59.768
Base-Backbone interact. energy: -0.137
local terms energy: -74.988915
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -198.322350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.322350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.322350 (E_RNA)
where:
Base-Base interactions energy: -124.286
where: short stacking energy: -59.289
Base-Backbone interact. energy: -0.064
local terms energy: -73.972433
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -179.104943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.104943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.104943 (E_RNA)
where:
Base-Base interactions energy: -109.989
where: short stacking energy: -51.067
Base-Backbone interact. energy: -0.016
local terms energy: -69.099363
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -12.789
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: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -171.495099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.495099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.495099 (E_RNA)
where:
Base-Base interactions energy: -109.626
where: short stacking energy: -54.469
Base-Backbone interact. energy: -0.081
local terms energy: -61.788224
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -177.431858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.431858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.431858 (E_RNA)
where:
Base-Base interactions energy: -113.371
where: short stacking energy: -52.589
Base-Backbone interact. energy: -0.061
local terms energy: -63.999358
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -11.937
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: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -74.753577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.753577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.753577 (E_RNA)
where:
Base-Base interactions energy: -34.603
where: short stacking energy: -23.941
Base-Backbone interact. energy: -0.441
local terms energy: -39.709957
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -6.754
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -86.522315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522315 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -34.249
Base-Backbone interact. energy: -0.097
local terms energy: -51.236572
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -9.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -82.656233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656233 (E_RNA)
where:
Base-Base interactions energy: -30.690
where: short stacking energy: -30.690
Base-Backbone interact. energy: -0.259
local terms energy: -51.706719
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -203.296339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.296339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.296339 (E_RNA)
where:
Base-Base interactions energy: -134.213
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.064
local terms energy: -69.019331
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -196.338652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.338652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.338652 (E_RNA)
where:
Base-Base interactions energy: -123.616
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.625
local terms energy: -72.097601
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -207.468425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.468425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.468425 (E_RNA)
where:
Base-Base interactions energy: -136.940
where: short stacking energy: -66.521
Base-Backbone interact. energy: -0.026
local terms energy: -70.502031
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -16.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -199.548141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.548141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.548141 (E_RNA)
where:
Base-Base interactions energy: -129.708
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.012
local terms energy: -69.828111
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -181.059799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.059799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.059799 (E_RNA)
where:
Base-Base interactions energy: -117.148
where: short stacking energy: -57.100
Base-Backbone interact. energy: -0.194
local terms energy: -63.717779
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -14.464
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: 492
Temperature: 1.150000
Total energy: -164.844936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.844936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.844936 (E_RNA)
where:
Base-Base interactions energy: -97.710
where: short stacking energy: -42.707
Base-Backbone interact. energy: 0.570
local terms energy: -67.705253
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -15.292
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: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -179.379173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.379173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.379173 (E_RNA)
where:
Base-Base interactions energy: -111.682
where: short stacking energy: -50.011
Base-Backbone interact. energy: -0.004
local terms energy: -67.693142
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -83.859974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.859974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.859974 (E_RNA)
where:
Base-Base interactions energy: -39.261
where: short stacking energy: -39.261
Base-Backbone interact. energy: -0.016
local terms energy: -44.582963
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -7.118
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -7.573
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: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -81.640193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.640193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.640193 (E_RNA)
where:
Base-Base interactions energy: -26.745
where: short stacking energy: -26.214
Base-Backbone interact. energy: -1.173
local terms energy: -53.722765
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -3.778
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: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -75.125770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.125770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.125770 (E_RNA)
where:
Base-Base interactions energy: -28.305
where: short stacking energy: -16.787
Base-Backbone interact. energy: -0.027
local terms energy: -46.793058
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -0.151
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: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -207.132183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.132183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.132183 (E_RNA)
where:
Base-Base interactions energy: -133.013
where: short stacking energy: -63.919
Base-Backbone interact. energy: -0.021
local terms energy: -74.098046
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -203.636210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.636210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.636210 (E_RNA)
where:
Base-Base interactions energy: -126.541
where: short stacking energy: -57.502
Base-Backbone interact. energy: -0.257
local terms energy: -76.838303
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -22.050
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: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -203.249980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.249980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.249980 (E_RNA)
where:
Base-Base interactions energy: -129.648
where: short stacking energy: -60.444
Base-Backbone interact. energy: 0.127
local terms energy: -73.729087
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -192.510689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.510689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.510689 (E_RNA)
where:
Base-Base interactions energy: -126.123
where: short stacking energy: -59.366
Base-Backbone interact. energy: -0.113
local terms energy: -66.274739
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -13.514
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: 4
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -195.578294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.578294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.578294 (E_RNA)
where:
Base-Base interactions energy: -127.145
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.018
local terms energy: -68.415156
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -18.621
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: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -185.130588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.130588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.130588 (E_RNA)
where:
Base-Base interactions energy: -130.785
where: short stacking energy: -63.934
Base-Backbone interact. energy: -0.001
local terms energy: -54.344873
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -4.988
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -143.709990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.709990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.709990 (E_RNA)
where:
Base-Base interactions energy: -93.909
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.097
local terms energy: -49.703846
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -86.646399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.646399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.646399 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -30.727
Base-Backbone interact. energy: 0.206
local terms energy: -54.351975
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -1.334
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: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -81.386708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.386708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.386708 (E_RNA)
where:
Base-Base interactions energy: -30.086
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.146
local terms energy: -51.154282
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -84.101113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.101113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.101113 (E_RNA)
where:
Base-Base interactions energy: -40.457
where: short stacking energy: -28.504
Base-Backbone interact. energy: 1.149
local terms energy: -44.793258
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: 4.389
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: 494
Temperature: 0.900000
Total energy: -213.959726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.959726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.959726 (E_RNA)
where:
Base-Base interactions energy: -140.072
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.098
local terms energy: -73.788886
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -16.053
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: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -209.412162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.412162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.412162 (E_RNA)
where:
Base-Base interactions energy: -136.032
where: short stacking energy: -69.664
Base-Backbone interact. energy: -0.001
local terms energy: -73.379027
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -191.797189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.797189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.797189 (E_RNA)
where:
Base-Base interactions energy: -127.064
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.320
local terms energy: -64.413403
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -14.695
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: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -187.734781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.734781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.734781 (E_RNA)
where:
Base-Base interactions energy: -112.611
where: short stacking energy: -50.180
Base-Backbone interact. energy: -0.015
local terms energy: -75.108854
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -177.905463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.905463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.905463 (E_RNA)
where:
Base-Base interactions energy: -117.462
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.479
local terms energy: -59.963968
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -11.651
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: 4
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -187.182414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.182414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.182414 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -50.101
Base-Backbone interact. energy: -0.129
local terms energy: -64.734420
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -176.514182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.514182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.514182 (E_RNA)
where:
Base-Base interactions energy: -112.902
where: short stacking energy: -51.725
Base-Backbone interact. energy: -0.155
local terms energy: -63.457043
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -86.825391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.825391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.825391 (E_RNA)
where:
Base-Base interactions energy: -31.473
where: short stacking energy: -31.473
Base-Backbone interact. energy: -0.129
local terms energy: -55.223658
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -88.473950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.473950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.473950 (E_RNA)
where:
Base-Base interactions energy: -38.773
where: short stacking energy: -38.226
Base-Backbone interact. energy: -0.125
local terms energy: -49.575952
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -4.171
tors. eta vs tors. theta energy: -8.039
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: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -71.946663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.946663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.946663 (E_RNA)
where:
Base-Base interactions energy: -22.947
where: short stacking energy: -20.428
Base-Backbone interact. energy: -0.154
local terms energy: -48.846198
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: 0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -213.047078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.047078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.047078 (E_RNA)
where:
Base-Base interactions energy: -138.633
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.088
local terms energy: -74.326535
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -15.366
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: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -203.348101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.348101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.348101 (E_RNA)
where:
Base-Base interactions energy: -131.577
where: short stacking energy: -59.258
Base-Backbone interact. energy: -0.138
local terms energy: -71.632821
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -16.770
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: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -198.748581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.748581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.748581 (E_RNA)
where:
Base-Base interactions energy: -128.662
where: short stacking energy: -61.804
Base-Backbone interact. energy: -0.002
local terms energy: -70.084708
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -190.785808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.785808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.785808 (E_RNA)
where:
Base-Base interactions energy: -118.336
where: short stacking energy: -53.832
Base-Backbone interact. energy: -0.350
local terms energy: -72.100229
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -194.678248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.678248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.678248 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.080
local terms energy: -67.824549
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -182.930527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.930527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.930527 (E_RNA)
where:
Base-Base interactions energy: -119.896
where: short stacking energy: -44.162
Base-Backbone interact. energy: -0.275
local terms energy: -62.759597
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -158.665438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.665438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.665438 (E_RNA)
where:
Base-Base interactions energy: -106.573
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.394
local terms energy: -51.698490
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -7.736
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -2.914
tors. eta vs tors. theta energy: -12.082
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: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -89.424185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.424185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.424185 (E_RNA)
where:
Base-Base interactions energy: -41.331
where: short stacking energy: -41.331
Base-Backbone interact. energy: -0.033
local terms energy: -48.060170
where:
bonds (distance) C4'-P energy: -7.115
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -81.243066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.243066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.243066 (E_RNA)
where:
Base-Base interactions energy: -26.037
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.266
local terms energy: -54.940071
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -3.357
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: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -75.644320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.644320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.644320 (E_RNA)
where:
Base-Base interactions energy: -33.778
where: short stacking energy: -26.891
Base-Backbone interact. energy: -0.214
local terms energy: -41.652298
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -2.241
tors. eta vs tors. theta energy: -2.655
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)
out arg RESULTS//1/118-VP1-700cb3bf_01
DONE
DONE